(3R)-3-[(1S,4R)-4-ethenyl-1,4-dimethyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol

C18H34OSi — CID 42636526

IUPAC(3R)-3-[(1S,4R)-4-ethenyl-1,4-dimethyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol
SMILESC=C[C@]1(C)C=C(C[Si](C)(C)C)[C@](C)([C@H](C)CCO)CC1
InChIInChI=1S/C18H34OSi/c1-8-17(3)10-11-18(4,15(2)9-12-19)16(13-17)14-20(5,6)7/h8,13,15,19H,1,9-12,14H2,2-7H3/t15-,17+,18+/m1/s1
InChIKeyKCFXDEDDTUOWER-NJAFHUGGSA-N
MW294.56 g/mol
LogP5.26
Rot. Bonds6

About (3R)-3-[(1S,4R)-4-ethenyl-1,4-dimethyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol

(3R)-3-[(1S,4R)-4-ethenyl-1,4-dimethyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol (PubChem CID 42636526) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is (3R)-3-[(1S,4R)-4-ethenyl-1,4-dimethyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(1S,4R)-4-ethenyl-1,4-dimethyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol
PubChem CID42636526
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name(3R)-3-[(1S,4R)-4-ethenyl-1,4-dimethyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol
SMILESC=C[C@]1(C)C=C(C[Si](C)(C)C)[C@](C)([C@H](C)CCO)CC1
InChIInChI=1S/C18H34OSi/c1-8-17(3)10-11-18(4,15(2)9-12-19)16(13-17)14-20(5,6)7/h8,13,15,19H,1,9-12,14H2,2-7H3/t15-,17+,18+/m1/s1
InChIKeyKCFXDEDDTUOWER-NJAFHUGGSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.26
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'}

Analyze (3R)-3-[(1S,4R)-4-ethenyl-1,4-dimethyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Camelliol C
CID 6476390
4,6,6-trimethyl-5-[(3Z,7E,11Z)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohex-3-en-1-ol
CID 131751388
3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol
CID 52948707
(1S,5R)-4,6,6-trimethyl-5-[(3E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohex-3-en-1-ol
CID 163040112
2-(1-Ethenyl-2,4-dimethylcyclohex-3-en-1-yl)ethanol
CID 68484914
3,7-Dimethyl-9-(2,6,6-trimethylcyclohexa-1,4-dien-1-yl)nonan-1-ol
CID 446799
(E,3S)-3,7-dimethyl-9-[(1S)-2,2,6-trimethylcyclohexyl]non-8-en-1-ol
CID 448059
(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-8-en-1-ol
CID 86306044
3-(6-Trimethylsilylcyclohex-2-en-1-yl)propan-1-ol
CID 10420734
3-[(1R,4aR,5S,6S)-1,5,6-trimethyl-5-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]propan-1-ol
CID 10717812
(E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol
CID 53493823
2-(6-Trimethylsilylcyclohex-2-en-1-yl)ethanol
CID 73116563

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S,4R)-4-ethenyl-1,4-dimethyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol?
The IUPAC name of (3R)-3-[(1S,4R)-4-ethenyl-1,4-dimethyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol (CID 42636526) is (3R)-3-[(1S,4R)-4-ethenyl-1,4-dimethyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol.
What is the SMILES notation for (3R)-3-[(1S,4R)-4-ethenyl-1,4-dimethyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol?
The canonical SMILES for (3R)-3-[(1S,4R)-4-ethenyl-1,4-dimethyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol is C=C[C@]1(C)C=C(C[Si](C)(C)C)[C@](C)([C@H](C)CCO)CC1.
What is the InChIKey of (3R)-3-[(1S,4R)-4-ethenyl-1,4-dimethyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol?
The InChIKey is KCFXDEDDTUOWER-NJAFHUGGSA-N. The full InChI is InChI=1S/C18H34OSi/c1-8-17(3)10-11-18(4,15(2)9-12-19)16(13-17)14-20(5,6)7/h8,13,15,19H,1,9-12,14H2,2-7H3/t15-,17+,18+/m1/s1.
What are the key properties of (3R)-3-[(1S,4R)-4-ethenyl-1,4-dimethyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol?
(3R)-3-[(1S,4R)-4-ethenyl-1,4-dimethyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol has a molecular weight of 294.56 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S,4R)-4-ethenyl-1,4-dimethyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol is sourced from PubChem (CID 42636526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).