1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]-4-trimethylsilylbut-3-yn-2-ol

C17H30OSi — CID 11637694

IUPAC1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]-4-trimethylsilylbut-3-yn-2-ol
SMILESCC(C)[C@H]1C=C(CC(O)C#C[Si](C)(C)C)[C@H](C)CC1
InChIInChI=1S/C17H30OSi/c1-13(2)15-8-7-14(3)16(11-15)12-17(18)9-10-19(4,5)6/h11,13-15,17-18H,7-8,12H2,1-6H3/t14-,15-,17?/m1/s1
InChIKeyNTCZUIINBBFBFS-BLBXNVQISA-N
MW278.51 g/mol
LogP4.25
Rot. Bonds3

About 1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]-4-trimethylsilylbut-3-yn-2-ol

1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]-4-trimethylsilylbut-3-yn-2-ol (PubChem CID 11637694) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is 1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]-4-trimethylsilylbut-3-yn-2-ol.

Molecular Properties

Compound Name1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]-4-trimethylsilylbut-3-yn-2-ol
PubChem CID11637694
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]-4-trimethylsilylbut-3-yn-2-ol
SMILESCC(C)[C@H]1C=C(CC(O)C#C[Si](C)(C)C)[C@H](C)CC1
InChIInChI=1S/C17H30OSi/c1-13(2)15-8-7-14(3)16(11-15)12-17(18)9-10-19(4,5)6/h11,13-15,17-18H,7-8,12H2,1-6H3/t14-,15-,17?/m1/s1
InChIKeyNTCZUIINBBFBFS-BLBXNVQISA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 54.25
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]-4-trimethylsilylbut-3-yn-2-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

(2S)-5-methyl-1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]hex-3-yne-2,5-diol
CID 11708738
(1S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-pent-4-ynylcyclohex-3-en-1-ol
CID 11163507
(1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol
CID 14221277
1-(2-Butyl-3-trimethylsilylcycloprop-2-en-1-yl)prop-2-yn-1-ol
CID 102142056
(3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol
CID 134964317
(4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol
CID 134967878
(3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol
CID 134972259
(Z,1R,2S)-1-cyclohexyl-2-trimethylsilylpent-3-en-1-ol
CID 154716129
(4S,6S)-6,10-dimethyl-2-(trimethylsilylmethyl)undeca-1,9-dien-4-ol
CID 162404135
(4aS,6S,7R)-3,5,5,9-tetramethyl-7-trimethylsilyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-6-ol
CID 11716275
1-(4-Trimethylsilylmethyl-3-cyclohexenyl)-5-methyl-4-hexen-1-ol
CID 101621183
(7aS)-7a-methyl-1-[(2S)-5-trimethylsilylpent-4-yn-2-yl]-3,3a,4,5,6,7-hexahydroinden-4-ol;actinium
CID 59976721

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]-4-trimethylsilylbut-3-yn-2-ol?
The IUPAC name of 1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]-4-trimethylsilylbut-3-yn-2-ol (CID 11637694) is 1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]-4-trimethylsilylbut-3-yn-2-ol.
What is the SMILES notation for 1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]-4-trimethylsilylbut-3-yn-2-ol?
The canonical SMILES for 1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]-4-trimethylsilylbut-3-yn-2-ol is CC(C)[C@H]1C=C(CC(O)C#C[Si](C)(C)C)[C@H](C)CC1.
What is the InChIKey of 1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]-4-trimethylsilylbut-3-yn-2-ol?
The InChIKey is NTCZUIINBBFBFS-BLBXNVQISA-N. The full InChI is InChI=1S/C17H30OSi/c1-13(2)15-8-7-14(3)16(11-15)12-17(18)9-10-19(4,5)6/h11,13-15,17-18H,7-8,12H2,1-6H3/t14-,15-,17?/m1/s1.
What are the key properties of 1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]-4-trimethylsilylbut-3-yn-2-ol?
1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]-4-trimethylsilylbut-3-yn-2-ol has a molecular weight of 278.51 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]-4-trimethylsilylbut-3-yn-2-ol is sourced from PubChem (CID 11637694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).