2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-ol

C9H12O — CID 23202225

IUPAC2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-ol
SMILESC=C1CC(C)=CC(C)=C1O
InChIInChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h5,10H,2,4H2,1,3H3
InChIKeyNXILWRARSAIZOK-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.72
Rot. Bonds

About 2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-ol

2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-ol (PubChem CID 23202225) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-ol
PubChem CID23202225
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-ol
SMILESC=C1CC(C)=CC(C)=C1O
InChIInChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h5,10H,2,4H2,1,3H3
InChIKeyNXILWRARSAIZOK-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-ol?
The IUPAC name of 2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-ol (CID 23202225) is 2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-ol is C=C1CC(C)=CC(C)=C1O.
What is the InChIKey of 2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-ol?
The InChIKey is NXILWRARSAIZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h5,10H,2,4H2,1,3H3.
What are the key properties of 2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-ol?
2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-ol has a molecular weight of 136.19 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 23202225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).