trans-(1R,2R)-2-tri(propan-2-yl)silyloxycyclohexan-1-ol

C15H32O2Si — CID 10912666

IUPACtrans-(1R,2R)-2-tri(propan-2-yl)silyloxycyclohexan-1-ol
SMILESCC(C)[Si](O[C@@H]1CCCC[C@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C15H32O2Si/c1-11(2)18(12(3)4,13(5)6)17-15-10-8-7-9-14(15)16/h11-16H,7-10H2,1-6H3/t14-,15-/m1/s1
InChIKeyKKNCNZPYGGNTBS-HUUCEWRRSA-N
MW272.50 g/mol
LogP4.48
Rot. Bonds5

About trans-(1R,2R)-2-tri(propan-2-yl)silyloxycyclohexan-1-ol

trans-(1R,2R)-2-tri(propan-2-yl)silyloxycyclohexan-1-ol (PubChem CID 10912666) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is trans-(1R,2R)-2-tri(propan-2-yl)silyloxycyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-tri(propan-2-yl)silyloxycyclohexan-1-ol
PubChem CID10912666
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Nametrans-(1R,2R)-2-tri(propan-2-yl)silyloxycyclohexan-1-ol
SMILESCC(C)[Si](O[C@@H]1CCCC[C@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C15H32O2Si/c1-11(2)18(12(3)4,13(5)6)17-15-10-8-7-9-14(15)16/h11-16H,7-10H2,1-6H3/t14-,15-/m1/s1
InChIKeyKKNCNZPYGGNTBS-HUUCEWRRSA-N
XLogP4.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trans-(1R,2R)-2-tri(propan-2-yl)silyloxycyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-tri(propan-2-yl)silyloxycyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-tri(propan-2-yl)silyloxycyclohexan-1-ol (CID 10912666) is trans-(1R,2R)-2-tri(propan-2-yl)silyloxycyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-tri(propan-2-yl)silyloxycyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-tri(propan-2-yl)silyloxycyclohexan-1-ol is CC(C)[Si](O[C@@H]1CCCC[C@H]1O)(C(C)C)C(C)C.
What is the InChIKey of trans-(1R,2R)-2-tri(propan-2-yl)silyloxycyclohexan-1-ol?
The InChIKey is KKNCNZPYGGNTBS-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-11(2)18(12(3)4,13(5)6)17-15-10-8-7-9-14(15)16/h11-16H,7-10H2,1-6H3/t14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-tri(propan-2-yl)silyloxycyclohexan-1-ol?
trans-(1R,2R)-2-tri(propan-2-yl)silyloxycyclohexan-1-ol has a molecular weight of 272.50 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-tri(propan-2-yl)silyloxycyclohexan-1-ol is sourced from PubChem (CID 10912666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).