2-ethyl-4-methylcyclohexa-1,3-dien-1-ol

C9H14O — CID 135256899

IUPAC2-ethyl-4-methylcyclohexa-1,3-dien-1-ol
SMILESCCC1=C(O)CCC(C)=C1
InChIInChI=1S/C9H14O/c1-3-8-6-7(2)4-5-9(8)10/h6,10H,3-5H2,1-2H3
InChIKeyXSNXFYWWTJAKBF-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.95
Rot. Bonds1

About 2-ethyl-4-methylcyclohexa-1,3-dien-1-ol

2-ethyl-4-methylcyclohexa-1,3-dien-1-ol (PubChem CID 135256899) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-ethyl-4-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-ethyl-4-methylcyclohexa-1,3-dien-1-ol
PubChem CID135256899
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-ethyl-4-methylcyclohexa-1,3-dien-1-ol
SMILESCCC1=C(O)CCC(C)=C1
InChIInChI=1S/C9H14O/c1-3-8-6-7(2)4-5-9(8)10/h6,10H,3-5H2,1-2H3
InChIKeyXSNXFYWWTJAKBF-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-ethyl-4-methylcyclohexa-1,3-dien-1-ol (CID 135256899) is 2-ethyl-4-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-ethyl-4-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-ethyl-4-methylcyclohexa-1,3-dien-1-ol is CCC1=C(O)CCC(C)=C1.
What is the InChIKey of 2-ethyl-4-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is XSNXFYWWTJAKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-8-6-7(2)4-5-9(8)10/h6,10H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-4-methylcyclohexa-1,3-dien-1-ol?
2-ethyl-4-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 138.21 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 135256899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).