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

C12H16O — CID 130635423

IUPAC1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-yn-1-ol
SMILESC#CC(O)C1=CC[C@@H](C(=C)C)CC1
InChIInChI=1S/C12H16O/c1-4-12(13)11-7-5-10(6-8-11)9(2)3/h1,7,10,12-13H,2,5-6,8H2,3H3/t10-,12?/m1/s1
InChIKeyQLYZLGXMLWILJT-RWANSRKNSA-N
MW176.26 g/mol
LogP2.28
Rot. Bonds2

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

1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-yn-1-ol (PubChem CID 130635423) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-yn-1-ol
PubChem CID130635423
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-yn-1-ol
SMILESC#CC(O)C1=CC[C@@H](C(=C)C)CC1
InChIInChI=1S/C12H16O/c1-4-12(13)11-7-5-10(6-8-11)9(2)3/h1,7,10,12-13H,2,5-6,8H2,3H3/t10-,12?/m1/s1
InChIKeyQLYZLGXMLWILJT-RWANSRKNSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-yn-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

Perillyl Alcohol
CID 10819
Perilla alcohol
CID 369312
(+)-Perillyl alcohol
CID 11788398
p-Menth-1-en-3-ol
CID 10282
cis-Piperitol
CID 85567
(1S,6S)-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-ol
CID 12314336
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6R)-rel-
CID 85568
4-(2-Hydroxy-2-propyl)cyclohexene-1-methanol
CID 110662
2-Cyclohexen-1-ol, 2,6-dimethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 90092947
2,10-Bisaboladiene-1,4-diol
CID 131752167
(-)-Oleuropeyl alcohol
CID 44566704
3-Hydroxy-7,8-dihydro-beta-ionol
CID 519379

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-yn-1-ol?
The IUPAC name of 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-yn-1-ol (CID 130635423) is 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-yn-1-ol.
What is the SMILES notation for 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-yn-1-ol?
The canonical SMILES for 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-yn-1-ol is C#CC(O)C1=CC[C@@H](C(=C)C)CC1.
What is the InChIKey of 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-yn-1-ol?
The InChIKey is QLYZLGXMLWILJT-RWANSRKNSA-N. The full InChI is InChI=1S/C12H16O/c1-4-12(13)11-7-5-10(6-8-11)9(2)3/h1,7,10,12-13H,2,5-6,8H2,3H3/t10-,12?/m1/s1.
What are the key properties of 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-yn-1-ol?
1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-yn-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.28, 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]prop-2-yn-1-ol is sourced from PubChem (CID 130635423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).