CAS RN: 130650-09-8

3,4-DIHYDRO-6-[(TERT-BUTYL)DIMETHYL SILYLOXY]-2H-PYRAN

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  • Product code: starshine_CAS130650-09-8
  • Purity/Analytical Methods: >99.0%
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130650-09-8 / tert-butyl-(3,4-dihydro-2H-pyran-6-yloxy)-dimethylsilane

Standard CAS: 130650-09-8 Multi CAS: No

Basic Information

CAS
130650-09-8
Multi CAS
No
Molecular Formula
C11H22O2Si
Molecular Weight
214.380000
Exact Mass
214.138906
SMILES
CC(C)(C)[Si](C)(C)OC1=CCCCO1
InChI
InChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9-12-10/h8H,6-7,9H2,1-5H3
InChIKey
RBKFRODDAPGVLP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
61.55
TPSA
18.46

LogP / Solubility

WLOGP
3.66
MLOGP
3.22
XLogP3
3.66
Consensus LogP
3.51
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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