5-ethoxycyclohexa-1,5-dien-1-ol

C8H12O2 — CID 12735096

IUPAC5-ethoxycyclohexa-1,5-dien-1-ol
SMILESCCOC1=CC(O)=CCC1
InChIInChI=1S/C8H12O2/c1-2-10-8-5-3-4-7(9)6-8/h4,6,9H,2-3,5H2,1H3
InChIKeyLAYZIYWPVIMFCT-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.14
Rot. Bonds2

About 5-ethoxycyclohexa-1,5-dien-1-ol

5-ethoxycyclohexa-1,5-dien-1-ol (PubChem CID 12735096) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-ethoxycyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name5-ethoxycyclohexa-1,5-dien-1-ol
PubChem CID12735096
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-ethoxycyclohexa-1,5-dien-1-ol
SMILESCCOC1=CC(O)=CCC1
InChIInChI=1S/C8H12O2/c1-2-10-8-5-3-4-7(9)6-8/h4,6,9H,2-3,5H2,1H3
InChIKeyLAYZIYWPVIMFCT-UHFFFAOYSA-N
XLogP2.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethoxycyclohexa-1,5-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethoxycyclohexa-1,5-dien-1-ol?
The IUPAC name of 5-ethoxycyclohexa-1,5-dien-1-ol (CID 12735096) is 5-ethoxycyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 5-ethoxycyclohexa-1,5-dien-1-ol?
The canonical SMILES for 5-ethoxycyclohexa-1,5-dien-1-ol is CCOC1=CC(O)=CCC1.
What is the InChIKey of 5-ethoxycyclohexa-1,5-dien-1-ol?
The InChIKey is LAYZIYWPVIMFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-10-8-5-3-4-7(9)6-8/h4,6,9H,2-3,5H2,1H3.
What are the key properties of 5-ethoxycyclohexa-1,5-dien-1-ol?
5-ethoxycyclohexa-1,5-dien-1-ol has a molecular weight of 140.18 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxycyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 12735096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).