(E)-3-[(1S,2R)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-en-1-ol

C15H28OSi — CID 135010390

IUPAC(E)-3-[(1S,2R)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-en-1-ol
SMILESC=C[C@H]1CCCC[C@@H]1/C=C(\CO)C[Si](C)(C)C
InChIInChI=1S/C15H28OSi/c1-5-14-8-6-7-9-15(14)10-13(11-16)12-17(2,3)4/h5,10,14-16H,1,6-9,11-12H2,2-4H3/b13-10+/t14-,15+/m0/s1
InChIKeyAMZKSNSKYGIYPJ-XEZFYOOLSA-N
MW252.47 g/mol
LogP4.24
Rot. Bonds5

About (E)-3-[(1S,2R)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-en-1-ol

(E)-3-[(1S,2R)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-en-1-ol (PubChem CID 135010390) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is (E)-3-[(1S,2R)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(1S,2R)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-en-1-ol
PubChem CID135010390
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name(E)-3-[(1S,2R)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-en-1-ol
SMILESC=C[C@H]1CCCC[C@@H]1/C=C(\CO)C[Si](C)(C)C
InChIInChI=1S/C15H28OSi/c1-5-14-8-6-7-9-15(14)10-13(11-16)12-17(2,3)4/h5,10,14-16H,1,6-9,11-12H2,2-4H3/b13-10+/t14-,15+/m0/s1
InChIKeyAMZKSNSKYGIYPJ-XEZFYOOLSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(+)-(z)-2-(cis-3,4-Dimethylcyclohex-yliden)ethanol
CID 129776641
(E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclohexylprop-2-en-1-ol
CID 134906621
(E)-1-cyclohexyl-4-trimethylsilylpent-2-en-1-ol
CID 10752575
(E)-1-(6-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol
CID 13212260
(E)-1-[tert-butyl(dimethyl)silyl]-3-cyclohexylprop-2-en-1-ol
CID 101051958
4-Cyclohexyl-2-methylbut-2-en-1-ol
CID 53831617
(E)-4-cyclohexyl-2-methylbut-2-en-1-ol
CID 67844934
(2Z)-2-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexylidene]ethanol
CID 89328220
4-[2-(3-Methylbutyl)cyclohexyl]but-2-en-1-ol
CID 141317439
(E)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-ol
CID 10490257
(E)-6-cyclohexyl-1,1-dideuterio-2-methylhex-2-en-1-ol
CID 10899610
(E)-5-cyclohexyl-1,1-dideuterio-2-methylpent-2-en-1-ol
CID 10932113

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(1S,2R)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-[(1S,2R)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-en-1-ol (CID 135010390) is (E)-3-[(1S,2R)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(1S,2R)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-[(1S,2R)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-en-1-ol is C=C[C@H]1CCCC[C@@H]1/C=C(\CO)C[Si](C)(C)C.
What is the InChIKey of (E)-3-[(1S,2R)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-en-1-ol?
The InChIKey is AMZKSNSKYGIYPJ-XEZFYOOLSA-N. The full InChI is InChI=1S/C15H28OSi/c1-5-14-8-6-7-9-15(14)10-13(11-16)12-17(2,3)4/h5,10,14-16H,1,6-9,11-12H2,2-4H3/b13-10+/t14-,15+/m0/s1.
What are the key properties of (E)-3-[(1S,2R)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-en-1-ol?
(E)-3-[(1S,2R)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-en-1-ol has a molecular weight of 252.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(1S,2R)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-en-1-ol is sourced from PubChem (CID 135010390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).