1-(cyclohexen-1-yl)hex-1-yn-3-ol

C12H18O — CID 16724041

IUPAC1-(cyclohexen-1-yl)hex-1-yn-3-ol
SMILESCCCC(O)C#CC1=CCCCC1
InChIInChI=1S/C12H18O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h7,12-13H,2-6,8H2,1H3
InChIKeySPOGPBWXLRBDCF-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.65
Rot. Bonds2

About 1-(cyclohexen-1-yl)hex-1-yn-3-ol

1-(cyclohexen-1-yl)hex-1-yn-3-ol (PubChem CID 16724041) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)hex-1-yn-3-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)hex-1-yn-3-ol
PubChem CID16724041
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-(cyclohexen-1-yl)hex-1-yn-3-ol
SMILESCCCC(O)C#CC1=CCCCC1
InChIInChI=1S/C12H18O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h7,12-13H,2-6,8H2,1H3
InChIKeySPOGPBWXLRBDCF-UHFFFAOYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(cyclohexen-1-yl)-2-hydroxybut-3-ynyl]cyclopropan-1-ol
CID 102578273
1-(3,3-diethoxyprop-1-ynyl)cyclohexene
CID 13244494
1-(3-methoxybut-1-ynyl)cyclohexene
CID 91390074
4-(cyclohexen-1-yl)-N,N-dimethylbut-3-yn-2-amine
CID 91031840
N-butyl-3-(cyclohexen-1-yl)prop-2-ynamide
CID 50917910
propan-2-yl 4-(cyclohexen-1-yl)-2-oxobut-3-ynoate
CID 11310564
1-(cyclopenten-1-yl)hexan-1-ol
CID 62078915
1-(cyclohexen-1-yl)-3-methyl-4-sulfanylpent-1-yn-3-ol
CID 71500827
1-(cyclohexen-1-yl)-3-methylhexan-2-ol
CID 107893039
1-(cyclohepten-1-yl)-3-ethylsulfanylpropan-1-ol
CID 106651633
1-[3-[3-(cyclohexen-1-yl)prop-2-ynylsulfanyl]prop-1-ynyl]cyclohexene
CID 15500113
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)hex-1-yn-3-ol?
The IUPAC name of 1-(cyclohexen-1-yl)hex-1-yn-3-ol (CID 16724041) is 1-(cyclohexen-1-yl)hex-1-yn-3-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)hex-1-yn-3-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)hex-1-yn-3-ol is CCCC(O)C#CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)hex-1-yn-3-ol?
The InChIKey is SPOGPBWXLRBDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h7,12-13H,2-6,8H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)hex-1-yn-3-ol?
1-(cyclohexen-1-yl)hex-1-yn-3-ol has a molecular weight of 178.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)hex-1-yn-3-ol is sourced from PubChem (CID 16724041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).