2-cyclohexa-1,3-dien-1-yl-4-methylpentan-1-ol

C12H20O — CID 163195778

IUPAC2-cyclohexa-1,3-dien-1-yl-4-methylpentan-1-ol
SMILESCC(C)CC(CO)C1=CC=CCC1
InChIInChI=1S/C12H20O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-4,6,10,12-13H,5,7-9H2,1-2H3
InChIKeyVDFBKBRJTZAUPW-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.92
Rot. Bonds4

About 2-cyclohexa-1,3-dien-1-yl-4-methylpentan-1-ol

2-cyclohexa-1,3-dien-1-yl-4-methylpentan-1-ol (PubChem CID 163195778) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-4-methylpentan-1-ol
PubChem CID163195778
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-cyclohexa-1,3-dien-1-yl-4-methylpentan-1-ol
SMILESCC(C)CC(CO)C1=CC=CCC1
InChIInChI=1S/C12H20O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-4,6,10,12-13H,5,7-9H2,1-2H3
InChIKeyVDFBKBRJTZAUPW-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dehydrodihydroionol
CID 62126
p-MENTH-1-EN-9-OL
CID 86753
13,14-Dihydroretinol
CID 446798
Isocyclogeraniol
CID 109458
Methylcyclohexenyl butanol
CID 85903
3-Cyclohexene-1-methanol, 2,4-dimethyl-
CID 106743
(2S,4R)-p-Mentha-1(7),5-dien-2-ol
CID 5319361
(4-Propan-2-ylcyclohexa-1,3-dien-1-yl)methanol
CID 556567
(3,5-Dimethylcyclohex-3-en-1-yl)methanol
CID 106742
6-Ethyl-3-methyloct-6-en-1-ol
CID 117306
p-Mentha-1(7),2-dien-8-ol
CID 522161
2-Cyclohexene-1-methanol, 4-(1-methylethyl)-
CID 564463

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-methylpentan-1-ol?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-methylpentan-1-ol (CID 163195778) is 2-cyclohexa-1,3-dien-1-yl-4-methylpentan-1-ol.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-4-methylpentan-1-ol?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-4-methylpentan-1-ol is CC(C)CC(CO)C1=CC=CCC1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-4-methylpentan-1-ol?
The InChIKey is VDFBKBRJTZAUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-4,6,10,12-13H,5,7-9H2,1-2H3.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-4-methylpentan-1-ol?
2-cyclohexa-1,3-dien-1-yl-4-methylpentan-1-ol has a molecular weight of 180.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-4-methylpentan-1-ol is sourced from PubChem (CID 163195778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).