(1,3-dimethylcyclohexa-2,4-dien-1-yl)methanol

C9H14O — CID 154384290

IUPAC(1,3-dimethylcyclohexa-2,4-dien-1-yl)methanol
SMILESCC1=CC(C)(CO)CC=C1
InChIInChI=1S/C9H14O/c1-8-4-3-5-9(2,6-8)7-10/h3-4,6,10H,5,7H2,1-2H3
InChIKeyCCECULFLRITTQQ-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.89
Rot. Bonds1

About (1,3-dimethylcyclohexa-2,4-dien-1-yl)methanol

(1,3-dimethylcyclohexa-2,4-dien-1-yl)methanol (PubChem CID 154384290) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (1,3-dimethylcyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(1,3-dimethylcyclohexa-2,4-dien-1-yl)methanol
PubChem CID154384290
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(1,3-dimethylcyclohexa-2,4-dien-1-yl)methanol
SMILESCC1=CC(C)(CO)CC=C1
InChIInChI=1S/C9H14O/c1-8-4-3-5-9(2,6-8)7-10/h3-4,6,10H,5,7H2,1-2H3
InChIKeyCCECULFLRITTQQ-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylcyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (1,3-dimethylcyclohexa-2,4-dien-1-yl)methanol (CID 154384290) is (1,3-dimethylcyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (1,3-dimethylcyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (1,3-dimethylcyclohexa-2,4-dien-1-yl)methanol is CC1=CC(C)(CO)CC=C1.
What is the InChIKey of (1,3-dimethylcyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is CCECULFLRITTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-8-4-3-5-9(2,6-8)7-10/h3-4,6,10H,5,7H2,1-2H3.
What are the key properties of (1,3-dimethylcyclohexa-2,4-dien-1-yl)methanol?
(1,3-dimethylcyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 138.21 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylcyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 154384290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).