1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-3-trimethylsilylprop-2-yn-1-ol

C15H24OSi — CID 10879484

IUPAC1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-3-trimethylsilylprop-2-yn-1-ol
SMILESC=C(C)[C@@H]1CC=C(C(O)C#C[Si](C)(C)C)CC1
InChIInChI=1S/C15H24OSi/c1-12(2)13-6-8-14(9-7-13)15(16)10-11-17(3,4)5/h8,13,15-16H,1,6-7,9H2,2-5H3/t13-,15?/m1/s1
InChIKeyVJQDCNGPRDSSSZ-AFYYWNPRSA-N
MW248.44 g/mol
LogP3.53
Rot. Bonds2

About 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-3-trimethylsilylprop-2-yn-1-ol

1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-3-trimethylsilylprop-2-yn-1-ol (PubChem CID 10879484) has the molecular formula C15H24OSi and a molecular weight of 248.44 g/mol. Its IUPAC name is 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-3-trimethylsilylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-3-trimethylsilylprop-2-yn-1-ol
PubChem CID10879484
Molecular FormulaC15H24OSi
Molecular Weight248.44 g/mol
Exact Mass248.16
IUPAC Name1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-3-trimethylsilylprop-2-yn-1-ol
SMILESC=C(C)[C@@H]1CC=C(C(O)C#C[Si](C)(C)C)CC1
InChIInChI=1S/C15H24OSi/c1-12(2)13-6-8-14(9-7-13)15(16)10-11-17(3,4)5/h8,13,15-16H,1,6-7,9H2,2-5H3/t13-,15?/m1/s1
InChIKeyVJQDCNGPRDSSSZ-AFYYWNPRSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 53.53
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'}

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Related Compounds

6-Methyl-3-(1-methylethyl)-2-cyclohexen-1-ol
CID 86777
trans-Carvenol
CID 21116256
1-(4-Prop-1-en-2-ylcyclohexen-1-yl)ethanol
CID 14116361
1-(4-Ethenylcyclohexen-1-yl)ethanol
CID 68482194
1-[(4R)-4-methylcyclohexen-1-yl]ethanol
CID 139467915
Bisabola-2,7(14),11-trien-10-ol
CID 174161326
(1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol
CID 14221277
(2R,3R,4S,5R,6R)-2-[(3S,4E,7S,9S)-10-(hydroxymethyl)-3,5,7,9-tetramethylundeca-4,10-dienyl]-3,5-dimethyl-6-(2-trimethylsilylethynyl)oxan-4-ol
CID 46197729
(E,3S,5S,9S)-11-[(2R,3S,4S,5S,6R)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-en-1-ol
CID 46197730
1-(Cyclohexen-1-yl)-3-trimethylsilylpropan-1-ol
CID 101386357
1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-yn-1-ol
CID 130635423
(3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol
CID 134964317

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-3-trimethylsilylprop-2-yn-1-ol?
The IUPAC name of 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-3-trimethylsilylprop-2-yn-1-ol (CID 10879484) is 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-3-trimethylsilylprop-2-yn-1-ol.
What is the SMILES notation for 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-3-trimethylsilylprop-2-yn-1-ol?
The canonical SMILES for 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-3-trimethylsilylprop-2-yn-1-ol is C=C(C)[C@@H]1CC=C(C(O)C#C[Si](C)(C)C)CC1.
What is the InChIKey of 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-3-trimethylsilylprop-2-yn-1-ol?
The InChIKey is VJQDCNGPRDSSSZ-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H24OSi/c1-12(2)13-6-8-14(9-7-13)15(16)10-11-17(3,4)5/h8,13,15-16H,1,6-7,9H2,2-5H3/t13-,15?/m1/s1.
What are the key properties of 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-3-trimethylsilylprop-2-yn-1-ol?
1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-3-trimethylsilylprop-2-yn-1-ol has a molecular weight of 248.44 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-3-trimethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 10879484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).