3-ethylhex-4-en-3-ol

C8H16O — CID 54219311

IUPAC3-ethylhex-4-en-3-ol
SMILESCC=CC(O)(CC)CC
InChIInChI=1S/C8H16O/c1-4-7-8(9,5-2)6-3/h4,7,9H,5-6H2,1-3H3
InChIKeyNLSZGRWKFRRFDA-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.11
Rot. Bonds3

About 3-ethylhex-4-en-3-ol

3-ethylhex-4-en-3-ol (PubChem CID 54219311) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 3-ethylhex-4-en-3-ol.

Molecular Properties

Compound Name3-ethylhex-4-en-3-ol
PubChem CID54219311
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name3-ethylhex-4-en-3-ol
SMILESCC=CC(O)(CC)CC
InChIInChI=1S/C8H16O/c1-4-7-8(9,5-2)6-3/h4,7,9H,5-6H2,1-3H3
InChIKeyNLSZGRWKFRRFDA-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-4-ethyloct-2-en-4-ol
CID 24978181
3-ethylhex-4-ene-2,3-diol
CID 54338436
3-ethylhex-4-en-3-amine
CID 174912899
(Z)-hex-4-ene-3,3-diamine
CID 90219122
3-methylocta-4,6-dien-3-ol
CID 71319596
propane-1,1,1-triol;3-prop-2-enoxyprop-1-ene
CID 175245535
(Z)-4,4-diethyl-5-methylhex-2-ene
CID 59911296
(2E,6E)-5-ethylocta-2,6-diene-4,4-diol
CID 141487122
(E,2S)-2-amino-2-ethylpent-3-enoic acid
CID 55284732
3-ethylpenta-1,4-dien-3-ol
CID 131852756
2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate
CID 173486801
(E)-3-methylhex-4-ene-1,3-diol
CID 10534690

Frequently Asked Questions

What is the IUPAC name of 3-ethylhex-4-en-3-ol?
The IUPAC name of 3-ethylhex-4-en-3-ol (CID 54219311) is 3-ethylhex-4-en-3-ol.
What is the SMILES notation for 3-ethylhex-4-en-3-ol?
The canonical SMILES for 3-ethylhex-4-en-3-ol is CC=CC(O)(CC)CC.
What is the InChIKey of 3-ethylhex-4-en-3-ol?
The InChIKey is NLSZGRWKFRRFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-4-7-8(9,5-2)6-3/h4,7,9H,5-6H2,1-3H3.
What are the key properties of 3-ethylhex-4-en-3-ol?
3-ethylhex-4-en-3-ol has a molecular weight of 128.21 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylhex-4-en-3-ol is sourced from PubChem (CID 54219311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).