(E)-1-(4-tert-butylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol

C16H30OSi — CID 13212258

IUPAC(E)-1-(4-tert-butylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol
SMILESCC(C)(C)C1CC=C(C(O)/C=C/[Si](C)(C)C)CC1
InChIInChI=1S/C16H30OSi/c1-16(2,3)14-9-7-13(8-10-14)15(17)11-12-18(4,5)6/h7,11-12,14-15,17H,8-10H2,1-6H3/b12-11+
InChIKeyVOPBLWKTQDACCI-VAWYXSNFSA-N
MW266.50 g/mol
LogP4.55
Rot. Bonds3

About (E)-1-(4-tert-butylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol

(E)-1-(4-tert-butylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol (PubChem CID 13212258) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is (E)-1-(4-tert-butylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(4-tert-butylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol
PubChem CID13212258
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name(E)-1-(4-tert-butylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol
SMILESCC(C)(C)C1CC=C(C(O)/C=C/[Si](C)(C)C)CC1
InChIInChI=1S/C16H30OSi/c1-16(2,3)14-9-7-13(8-10-14)15(17)11-12-18(4,5)6/h7,11-12,14-15,17H,8-10H2,1-6H3/b12-11+
InChIKeyVOPBLWKTQDACCI-VAWYXSNFSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 54.55
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

1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol
CID 66963592
2-Cyclohexen-1-ol, 2,6-dimethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 90092947
4-tert-Butylcyclohex-2-en-1-ol
CID 141999
4-Ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol
CID 3023576
Cespitularin C
CID 10017010
cordiaquinol C
CID 44448124
(1R,2E,6E,11R)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-ol
CID 145971354
(1S,2R,7aS)-1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol
CID 101609001
(1S,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol
CID 162868043
(1R,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol
CID 162868044
(1R,4R)-2,5,5-trimethyl-4-(4-methylpent-3-enyl)cyclohex-2-en-1-ol
CID 162934757
(1R,4R)-4-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-ol
CID 163009898

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-tert-butylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol?
The IUPAC name of (E)-1-(4-tert-butylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol (CID 13212258) is (E)-1-(4-tert-butylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol.
What is the SMILES notation for (E)-1-(4-tert-butylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol?
The canonical SMILES for (E)-1-(4-tert-butylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol is CC(C)(C)C1CC=C(C(O)/C=C/[Si](C)(C)C)CC1.
What is the InChIKey of (E)-1-(4-tert-butylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol?
The InChIKey is VOPBLWKTQDACCI-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H30OSi/c1-16(2,3)14-9-7-13(8-10-14)15(17)11-12-18(4,5)6/h7,11-12,14-15,17H,8-10H2,1-6H3/b12-11+.
What are the key properties of (E)-1-(4-tert-butylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol?
(E)-1-(4-tert-butylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol has a molecular weight of 266.50 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-tert-butylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol is sourced from PubChem (CID 13212258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).