2-cyclohexylcyclohexa-1,5-dien-1-ol

C12H18O — CID 173364898

IUPAC2-cyclohexylcyclohexa-1,5-dien-1-ol
SMILESOC1=C(C2CCCCC2)CCC=C1
InChIInChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h5,9-10,13H,1-4,6-8H2
InChIKeyLAQNNPIWJBYHDZ-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.73
Rot. Bonds1

About 2-cyclohexylcyclohexa-1,5-dien-1-ol

2-cyclohexylcyclohexa-1,5-dien-1-ol (PubChem CID 173364898) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-cyclohexylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name2-cyclohexylcyclohexa-1,5-dien-1-ol
PubChem CID173364898
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name2-cyclohexylcyclohexa-1,5-dien-1-ol
SMILESOC1=C(C2CCCCC2)CCC=C1
InChIInChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h5,9-10,13H,1-4,6-8H2
InChIKeyLAQNNPIWJBYHDZ-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 162192944
(4aS,10aS)-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene
CID 57022585
4,6-dicyclohexylbenzene-1,3-diol
CID 3020817
1-[5-(2-fluorocyclohexa-1,3-dien-1-yl)cycloocten-1-yl]-3-methoxypropan-2-ol
CID 163961792
1,1a,2,3-tetrahydroindeno[1,2-b]azirine
CID 88623123
2,4a,7,8,9,9a-hexahydro-1H-fluoren-9-ylmethanol
CID 163639430
2-[6-cyclopentyloxy-4-(1,2-dihydrochrysen-6-yl)-1,2,3,4-tetrahydropyrimidin-2-yl]cyclohexa-1,5-dien-1-ol
CID 146499495
(1E)-1-cyclohexylcyclodecene
CID 139760930
2-cyclododecylphenol
CID 22381643
(1E)-1-cyclohexylcyclododecene
CID 139760943
2-propan-2-yloxycyclohexa-1,5-dien-1-ol
CID 146937661

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 2-cyclohexylcyclohexa-1,5-dien-1-ol (CID 173364898) is 2-cyclohexylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 2-cyclohexylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 2-cyclohexylcyclohexa-1,5-dien-1-ol is OC1=C(C2CCCCC2)CCC=C1.
What is the InChIKey of 2-cyclohexylcyclohexa-1,5-dien-1-ol?
The InChIKey is LAQNNPIWJBYHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h5,9-10,13H,1-4,6-8H2.
What are the key properties of 2-cyclohexylcyclohexa-1,5-dien-1-ol?
2-cyclohexylcyclohexa-1,5-dien-1-ol has a molecular weight of 178.28 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 173364898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).