(E)-6-cyclohexyl-2,2,3-trimethyl-5-triethylsilylhex-5-en-3-ol

C21H42OSi — CID 134951342

IUPAC(E)-6-cyclohexyl-2,2,3-trimethyl-5-triethylsilylhex-5-en-3-ol
SMILESCC[Si](CC)(CC)/C(=C/C1CCCCC1)CC(C)(O)C(C)(C)C
InChIInChI=1S/C21H42OSi/c1-8-23(9-2,10-3)19(16-18-14-12-11-13-15-18)17-21(7,22)20(4,5)6/h16,18,22H,8-15,17H2,1-7H3/b19-16+
InChIKeyQSNVXNZMAUSBDP-KNTRCKAVSA-N
MW338.65 g/mol
LogP6.73
Rot. Bonds7

About (E)-6-cyclohexyl-2,2,3-trimethyl-5-triethylsilylhex-5-en-3-ol

(E)-6-cyclohexyl-2,2,3-trimethyl-5-triethylsilylhex-5-en-3-ol (PubChem CID 134951342) has the molecular formula C21H42OSi and a molecular weight of 338.65 g/mol. Its IUPAC name is (E)-6-cyclohexyl-2,2,3-trimethyl-5-triethylsilylhex-5-en-3-ol.

Molecular Properties

Compound Name(E)-6-cyclohexyl-2,2,3-trimethyl-5-triethylsilylhex-5-en-3-ol
PubChem CID134951342
Molecular FormulaC21H42OSi
Molecular Weight338.65 g/mol
Exact Mass338.30
IUPAC Name(E)-6-cyclohexyl-2,2,3-trimethyl-5-triethylsilylhex-5-en-3-ol
SMILESCC[Si](CC)(CC)/C(=C/C1CCCCC1)CC(C)(O)C(C)(C)C
InChIInChI=1S/C21H42OSi/c1-8-23(9-2,10-3)19(16-18-14-12-11-13-15-18)17-21(7,22)20(4,5)6/h16,18,22H,8-15,17H2,1-7H3/b19-16+
InChIKeyQSNVXNZMAUSBDP-KNTRCKAVSA-N
XLogP6.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.65
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6-cyclohexyl-2,2,3-trimethyl-5-triethylsilylhex-5-en-3-ol?
The IUPAC name of (E)-6-cyclohexyl-2,2,3-trimethyl-5-triethylsilylhex-5-en-3-ol (CID 134951342) is (E)-6-cyclohexyl-2,2,3-trimethyl-5-triethylsilylhex-5-en-3-ol.
What is the SMILES notation for (E)-6-cyclohexyl-2,2,3-trimethyl-5-triethylsilylhex-5-en-3-ol?
The canonical SMILES for (E)-6-cyclohexyl-2,2,3-trimethyl-5-triethylsilylhex-5-en-3-ol is CC[Si](CC)(CC)/C(=C/C1CCCCC1)CC(C)(O)C(C)(C)C.
What is the InChIKey of (E)-6-cyclohexyl-2,2,3-trimethyl-5-triethylsilylhex-5-en-3-ol?
The InChIKey is QSNVXNZMAUSBDP-KNTRCKAVSA-N. The full InChI is InChI=1S/C21H42OSi/c1-8-23(9-2,10-3)19(16-18-14-12-11-13-15-18)17-21(7,22)20(4,5)6/h16,18,22H,8-15,17H2,1-7H3/b19-16+.
What are the key properties of (E)-6-cyclohexyl-2,2,3-trimethyl-5-triethylsilylhex-5-en-3-ol?
(E)-6-cyclohexyl-2,2,3-trimethyl-5-triethylsilylhex-5-en-3-ol has a molecular weight of 338.65 g/mol, XLogP of 6.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-cyclohexyl-2,2,3-trimethyl-5-triethylsilylhex-5-en-3-ol is sourced from PubChem (CID 134951342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).