1-ethylcyclohexa-3,5-diene-1,3-diol

C8H12O2 — CID 22672483

IUPAC1-ethylcyclohexa-3,5-diene-1,3-diol
SMILESCCC1(O)C=CC=C(O)C1
InChIInChI=1S/C8H12O2/c1-2-8(10)5-3-4-7(9)6-8/h3-5,9-10H,2,6H2,1H3
InChIKeyMRVNKFHOCJWEBM-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.53
Rot. Bonds1

About 1-ethylcyclohexa-3,5-diene-1,3-diol

1-ethylcyclohexa-3,5-diene-1,3-diol (PubChem CID 22672483) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-ethylcyclohexa-3,5-diene-1,3-diol.

Molecular Properties

Compound Name1-ethylcyclohexa-3,5-diene-1,3-diol
PubChem CID22672483
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-ethylcyclohexa-3,5-diene-1,3-diol
SMILESCCC1(O)C=CC=C(O)C1
InChIInChI=1S/C8H12O2/c1-2-8(10)5-3-4-7(9)6-8/h3-5,9-10H,2,6H2,1H3
InChIKeyMRVNKFHOCJWEBM-UHFFFAOYSA-N
XLogP1.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylcyclohexa-3,5-diene-1,3-diol?
The IUPAC name of 1-ethylcyclohexa-3,5-diene-1,3-diol (CID 22672483) is 1-ethylcyclohexa-3,5-diene-1,3-diol.
What is the SMILES notation for 1-ethylcyclohexa-3,5-diene-1,3-diol?
The canonical SMILES for 1-ethylcyclohexa-3,5-diene-1,3-diol is CCC1(O)C=CC=C(O)C1.
What is the InChIKey of 1-ethylcyclohexa-3,5-diene-1,3-diol?
The InChIKey is MRVNKFHOCJWEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-8(10)5-3-4-7(9)6-8/h3-5,9-10H,2,6H2,1H3.
What are the key properties of 1-ethylcyclohexa-3,5-diene-1,3-diol?
1-ethylcyclohexa-3,5-diene-1,3-diol has a molecular weight of 140.18 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylcyclohexa-3,5-diene-1,3-diol is sourced from PubChem (CID 22672483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).