(1S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-2,2-dimethylcyclohexan-1-ol

C16H32O2Si — CID 10265920

IUPAC(1S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-2,2-dimethylcyclohexan-1-ol
SMILESC=C[C@@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H]1O
InChIInChI=1S/C16H32O2Si/c1-9-12-10-11-13(16(5,6)14(12)17)18-19(7,8)15(2,3)4/h9,12-14,17H,1,10-11H2,2-8H3/t12-,13+,14+/m1/s1
InChIKeyAPQUEKMAFCRZGE-RDBSUJKOSA-N
MW284.52 g/mol
LogP4.36
Rot. Bonds3

About (1S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-2,2-dimethylcyclohexan-1-ol

(1S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-2,2-dimethylcyclohexan-1-ol (PubChem CID 10265920) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (1S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-2,2-dimethylcyclohexan-1-ol
PubChem CID10265920
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(1S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-2,2-dimethylcyclohexan-1-ol
SMILESC=C[C@@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H]1O
InChIInChI=1S/C16H32O2Si/c1-9-12-10-11-13(16(5,6)14(12)17)18-19(7,8)15(2,3)4/h9,12-14,17H,1,10-11H2,2-8H3/t12-,13+,14+/m1/s1
InChIKeyAPQUEKMAFCRZGE-RDBSUJKOSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of (1S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-2,2-dimethylcyclohexan-1-ol (CID 10265920) is (1S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for (1S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for (1S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-2,2-dimethylcyclohexan-1-ol is C=C[C@@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H]1O.
What is the InChIKey of (1S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-2,2-dimethylcyclohexan-1-ol?
The InChIKey is APQUEKMAFCRZGE-RDBSUJKOSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-9-12-10-11-13(16(5,6)14(12)17)18-19(7,8)15(2,3)4/h9,12-14,17H,1,10-11H2,2-8H3/t12-,13+,14+/m1/s1.
What are the key properties of (1S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-2,2-dimethylcyclohexan-1-ol?
(1S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-2,2-dimethylcyclohexan-1-ol has a molecular weight of 284.52 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 10265920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).