cyclohexyl(cyclopenta-1,3-dien-1-yl)methanol

C12H18O — CID 15442794

IUPACcyclohexyl(cyclopenta-1,3-dien-1-yl)methanol
SMILESOC(C1=CC=CC1)C1CCCCC1
InChIInChI=1S/C12H18O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h4-5,8,10,12-13H,1-3,6-7,9H2
InChIKeyOHXYDYJUNDYTJL-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.81
Rot. Bonds2

About cyclohexyl(cyclopenta-1,3-dien-1-yl)methanol

cyclohexyl(cyclopenta-1,3-dien-1-yl)methanol (PubChem CID 15442794) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is cyclohexyl(cyclopenta-1,3-dien-1-yl)methanol.

Molecular Properties

Compound Namecyclohexyl(cyclopenta-1,3-dien-1-yl)methanol
PubChem CID15442794
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Namecyclohexyl(cyclopenta-1,3-dien-1-yl)methanol
SMILESOC(C1=CC=CC1)C1CCCCC1
InChIInChI=1S/C12H18O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h4-5,8,10,12-13H,1-3,6-7,9H2
InChIKeyOHXYDYJUNDYTJL-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[cyclopenta-1,3-dien-1-yl(cyclopentyl)methoxy]silane
CID 173280027
cyclohepten-1-yl(cyclopentyl)methanol
CID 62078752
(2-bromo-4-methylphenyl)-cycloheptylmethanol
CID 82928098
cyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol
CID 83090918
cycloheptyl-(3,5-dimethylphenyl)methanol
CID 65399155
CID 10501710
CID 10501710
cycloheptyl-(2,4-dimethylphenyl)methanol
CID 55199424
cycloheptyl-(2,4,5-trimethoxyphenyl)methanol
CID 82932669
(R)-cyclopentyl-(2-methylphenyl)methanol
CID 93312335
(R)-cycloheptyl(phenyl)methanol
CID 94502427
CID 10501709
CID 10501709
cycloheptyl-(4-methyl-3-pyridinyl)methanol
CID 66273523

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(cyclopenta-1,3-dien-1-yl)methanol?
The IUPAC name of cyclohexyl(cyclopenta-1,3-dien-1-yl)methanol (CID 15442794) is cyclohexyl(cyclopenta-1,3-dien-1-yl)methanol.
What is the SMILES notation for cyclohexyl(cyclopenta-1,3-dien-1-yl)methanol?
The canonical SMILES for cyclohexyl(cyclopenta-1,3-dien-1-yl)methanol is OC(C1=CC=CC1)C1CCCCC1.
What is the InChIKey of cyclohexyl(cyclopenta-1,3-dien-1-yl)methanol?
The InChIKey is OHXYDYJUNDYTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h4-5,8,10,12-13H,1-3,6-7,9H2.
What are the key properties of cyclohexyl(cyclopenta-1,3-dien-1-yl)methanol?
cyclohexyl(cyclopenta-1,3-dien-1-yl)methanol has a molecular weight of 178.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(cyclopenta-1,3-dien-1-yl)methanol is sourced from PubChem (CID 15442794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).