(E)-3-cyclohexyl-2,2-dimethyl-5-triethylsilylhept-5-en-3-ol

C21H42OSi — CID 135062831

IUPAC(E)-3-cyclohexyl-2,2-dimethyl-5-triethylsilylhept-5-en-3-ol
SMILESC/C=C(\CC(O)(C1CCCCC1)C(C)(C)C)[Si](CC)(CC)CC
InChIInChI=1S/C21H42OSi/c1-8-19(23(9-2,10-3)11-4)17-21(22,20(5,6)7)18-15-13-12-14-16-18/h8,18,22H,9-17H2,1-7H3/b19-8+
InChIKeyAWYQEXHUHDDDEL-UFWORHAWSA-N
MW338.65 g/mol
LogP6.73
Rot. Bonds7

About (E)-3-cyclohexyl-2,2-dimethyl-5-triethylsilylhept-5-en-3-ol

(E)-3-cyclohexyl-2,2-dimethyl-5-triethylsilylhept-5-en-3-ol (PubChem CID 135062831) has the molecular formula C21H42OSi and a molecular weight of 338.65 g/mol. Its IUPAC name is (E)-3-cyclohexyl-2,2-dimethyl-5-triethylsilylhept-5-en-3-ol.

Molecular Properties

Compound Name(E)-3-cyclohexyl-2,2-dimethyl-5-triethylsilylhept-5-en-3-ol
PubChem CID135062831
Molecular FormulaC21H42OSi
Molecular Weight338.65 g/mol
Exact Mass338.30
IUPAC Name(E)-3-cyclohexyl-2,2-dimethyl-5-triethylsilylhept-5-en-3-ol
SMILESC/C=C(\CC(O)(C1CCCCC1)C(C)(C)C)[Si](CC)(CC)CC
InChIInChI=1S/C21H42OSi/c1-8-19(23(9-2,10-3)11-4)17-21(22,20(5,6)7)18-15-13-12-14-16-18/h8,18,22H,9-17H2,1-7H3/b19-8+
InChIKeyAWYQEXHUHDDDEL-UFWORHAWSA-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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Related Compounds

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(1R,3E,7E,11R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7,12-trien-1-ol
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1-(2-Methyl-I-tri(n-butyl)silylmethyl-2-propenyl)cyclohexanol
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(E)-6-cyclohexyl-2,2,3-trimethyl-5-triethylsilylhex-5-en-3-ol
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4-Tert-butyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol
CID 162404137
5,5-Dimethyl-2-trimethylsilyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol
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Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclohexyl-2,2-dimethyl-5-triethylsilylhept-5-en-3-ol?
The IUPAC name of (E)-3-cyclohexyl-2,2-dimethyl-5-triethylsilylhept-5-en-3-ol (CID 135062831) is (E)-3-cyclohexyl-2,2-dimethyl-5-triethylsilylhept-5-en-3-ol.
What is the SMILES notation for (E)-3-cyclohexyl-2,2-dimethyl-5-triethylsilylhept-5-en-3-ol?
The canonical SMILES for (E)-3-cyclohexyl-2,2-dimethyl-5-triethylsilylhept-5-en-3-ol is C/C=C(\CC(O)(C1CCCCC1)C(C)(C)C)[Si](CC)(CC)CC.
What is the InChIKey of (E)-3-cyclohexyl-2,2-dimethyl-5-triethylsilylhept-5-en-3-ol?
The InChIKey is AWYQEXHUHDDDEL-UFWORHAWSA-N. The full InChI is InChI=1S/C21H42OSi/c1-8-19(23(9-2,10-3)11-4)17-21(22,20(5,6)7)18-15-13-12-14-16-18/h8,18,22H,9-17H2,1-7H3/b19-8+.
What are the key properties of (E)-3-cyclohexyl-2,2-dimethyl-5-triethylsilylhept-5-en-3-ol?
(E)-3-cyclohexyl-2,2-dimethyl-5-triethylsilylhept-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)-3-cyclohexyl-2,2-dimethyl-5-triethylsilylhept-5-en-3-ol is sourced from PubChem (CID 135062831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).