(2,3-dimethylcyclohexa-1,3-dien-1-yl)methanol

C9H14O — CID 122692141

IUPAC(2,3-dimethylcyclohexa-1,3-dien-1-yl)methanol
SMILESCC1=CCCC(CO)=C1C
InChIInChI=1S/C9H14O/c1-7-4-3-5-9(6-10)8(7)2/h4,10H,3,5-6H2,1-2H3
InChIKeyOKEHJAFMUKWSRV-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.04
Rot. Bonds1

About (2,3-dimethylcyclohexa-1,3-dien-1-yl)methanol

(2,3-dimethylcyclohexa-1,3-dien-1-yl)methanol (PubChem CID 122692141) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (2,3-dimethylcyclohexa-1,3-dien-1-yl)methanol.

Molecular Properties

Compound Name(2,3-dimethylcyclohexa-1,3-dien-1-yl)methanol
PubChem CID122692141
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(2,3-dimethylcyclohexa-1,3-dien-1-yl)methanol
SMILESCC1=CCCC(CO)=C1C
InChIInChI=1S/C9H14O/c1-7-4-3-5-9(6-10)8(7)2/h4,10H,3,5-6H2,1-2H3
InChIKeyOKEHJAFMUKWSRV-UHFFFAOYSA-N
XLogP2.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylcyclohexa-1,3-dien-1-yl)methanol?
The IUPAC name of (2,3-dimethylcyclohexa-1,3-dien-1-yl)methanol (CID 122692141) is (2,3-dimethylcyclohexa-1,3-dien-1-yl)methanol.
What is the SMILES notation for (2,3-dimethylcyclohexa-1,3-dien-1-yl)methanol?
The canonical SMILES for (2,3-dimethylcyclohexa-1,3-dien-1-yl)methanol is CC1=CCCC(CO)=C1C.
What is the InChIKey of (2,3-dimethylcyclohexa-1,3-dien-1-yl)methanol?
The InChIKey is OKEHJAFMUKWSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-7-4-3-5-9(6-10)8(7)2/h4,10H,3,5-6H2,1-2H3.
What are the key properties of (2,3-dimethylcyclohexa-1,3-dien-1-yl)methanol?
(2,3-dimethylcyclohexa-1,3-dien-1-yl)methanol has a molecular weight of 138.21 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylcyclohexa-1,3-dien-1-yl)methanol is sourced from PubChem (CID 122692141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).