2-ethylcyclohexa-2,4-dien-1-ol

C8H12O — CID 139242870

IUPAC2-ethylcyclohexa-2,4-dien-1-ol
SMILESCCC1=CC=CCC1O
InChIInChI=1S/C8H12O/c1-2-7-5-3-4-6-8(7)9/h3-5,8-9H,2,6H2,1H3
InChIKeyVLLJERSADGPZIC-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.64
Rot. Bonds1

About 2-ethylcyclohexa-2,4-dien-1-ol

2-ethylcyclohexa-2,4-dien-1-ol (PubChem CID 139242870) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-ethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-ethylcyclohexa-2,4-dien-1-ol
PubChem CID139242870
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-ethylcyclohexa-2,4-dien-1-ol
SMILESCCC1=CC=CCC1O
InChIInChI=1S/C8H12O/c1-2-7-5-3-4-6-8(7)9/h3-5,8-9H,2,6H2,1H3
InChIKeyVLLJERSADGPZIC-UHFFFAOYSA-N
XLogP1.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-ethylcyclohexa-2,4-dien-1-ol (CID 139242870) is 2-ethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-ethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-ethylcyclohexa-2,4-dien-1-ol is CCC1=CC=CCC1O.
What is the InChIKey of 2-ethylcyclohexa-2,4-dien-1-ol?
The InChIKey is VLLJERSADGPZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-7-5-3-4-6-8(7)9/h3-5,8-9H,2,6H2,1H3.
What are the key properties of 2-ethylcyclohexa-2,4-dien-1-ol?
2-ethylcyclohexa-2,4-dien-1-ol has a molecular weight of 124.18 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 139242870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).