5-ethylcyclohexa-1,3-dien-1-ol

C8H12O — CID 154505680

IUPAC5-ethylcyclohexa-1,3-dien-1-ol
SMILESCCC1C=CC=C(O)C1
InChIInChI=1S/C8H12O/c1-2-7-4-3-5-8(9)6-7/h3-5,7,9H,2,6H2,1H3
InChIKeyVJNKQCNVLFAYQO-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.41
Rot. Bonds1

About 5-ethylcyclohexa-1,3-dien-1-ol

5-ethylcyclohexa-1,3-dien-1-ol (PubChem CID 154505680) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 5-ethylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-ethylcyclohexa-1,3-dien-1-ol
PubChem CID154505680
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name5-ethylcyclohexa-1,3-dien-1-ol
SMILESCCC1C=CC=C(O)C1
InChIInChI=1S/C8H12O/c1-2-7-4-3-5-8(9)6-7/h3-5,7,9H,2,6H2,1H3
InChIKeyVJNKQCNVLFAYQO-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-ethylcyclohexa-1,3-dien-1-ol (CID 154505680) is 5-ethylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-ethylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-ethylcyclohexa-1,3-dien-1-ol is CCC1C=CC=C(O)C1.
What is the InChIKey of 5-ethylcyclohexa-1,3-dien-1-ol?
The InChIKey is VJNKQCNVLFAYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-7-4-3-5-8(9)6-7/h3-5,7,9H,2,6H2,1H3.
What are the key properties of 5-ethylcyclohexa-1,3-dien-1-ol?
5-ethylcyclohexa-1,3-dien-1-ol has a molecular weight of 124.18 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 154505680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).