(2Z)-2-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexylidene]ethanol

C15H28O2Si — CID 89328220

IUPAC(2Z)-2-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexylidene]ethanol
SMILESC=C1CC/C(=C/CO)C[C@H]1CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C15H28O2Si/c1-12-6-7-13(8-9-16)10-14(12)11-15(2,3)18(4,5)17/h8,14,16-17H,1,6-7,9-11H2,2-5H3/b13-8-/t14-/m0/s1
InChIKeyUTODSQMSXDRHTR-MQJVFOOVSA-N
MW268.47 g/mol
LogP3.63
Rot. Bonds4

About (2Z)-2-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexylidene]ethanol

(2Z)-2-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexylidene]ethanol (PubChem CID 89328220) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (2Z)-2-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexylidene]ethanol.

Molecular Properties

Compound Name(2Z)-2-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexylidene]ethanol
PubChem CID89328220
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(2Z)-2-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexylidene]ethanol
SMILESC=C1CC/C(=C/CO)C[C@H]1CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C15H28O2Si/c1-12-6-7-13(8-9-16)10-14(12)11-15(2,3)18(4,5)17/h8,14,16-17H,1,6-7,9-11H2,2-5H3/b13-8-/t14-/m0/s1
InChIKeyUTODSQMSXDRHTR-MQJVFOOVSA-N
XLogP3.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
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 (2Z)-2-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexylidene]ethanol?
The IUPAC name of (2Z)-2-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexylidene]ethanol (CID 89328220) is (2Z)-2-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexylidene]ethanol.
What is the SMILES notation for (2Z)-2-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexylidene]ethanol?
The canonical SMILES for (2Z)-2-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexylidene]ethanol is C=C1CC/C(=C/CO)C[C@H]1CC(C)(C)[Si](C)(C)O.
What is the InChIKey of (2Z)-2-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexylidene]ethanol?
The InChIKey is UTODSQMSXDRHTR-MQJVFOOVSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-12-6-7-13(8-9-16)10-14(12)11-15(2,3)18(4,5)17/h8,14,16-17H,1,6-7,9-11H2,2-5H3/b13-8-/t14-/m0/s1.
What are the key properties of (2Z)-2-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexylidene]ethanol?
(2Z)-2-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexylidene]ethanol has a molecular weight of 268.47 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexylidene]ethanol is sourced from PubChem (CID 89328220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).