4-ethenylhexa-1,5-dien-3-ol

C8H12O — CID 15402805

IUPAC4-ethenylhexa-1,5-dien-3-ol
SMILESC=CC(O)C(C=C)C=C
InChIInChI=1S/C8H12O/c1-4-7(5-2)8(9)6-3/h4-9H,1-3H2
InChIKeyUSTYPICLGXGFTR-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.52
Rot. Bonds4

About 4-ethenylhexa-1,5-dien-3-ol

4-ethenylhexa-1,5-dien-3-ol (PubChem CID 15402805) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 4-ethenylhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name4-ethenylhexa-1,5-dien-3-ol
PubChem CID15402805
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name4-ethenylhexa-1,5-dien-3-ol
SMILESC=CC(O)C(C=C)C=C
InChIInChI=1S/C8H12O/c1-4-7(5-2)8(9)6-3/h4-9H,1-3H2
InChIKeyUSTYPICLGXGFTR-UHFFFAOYSA-N
XLogP1.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.52
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

(4S)-hexa-1,5-diene-3,4-diol
CID 15562511
(2S,3S)-pent-4-ene-1,2,3-triol
CID 641010
azane;4-methylpent-1-en-3-ol
CID 175575018
4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol
CID 123974512
(3R,4R)-hex-5-ene-1,3,4-triol
CID 121404469
(3S,4R,5E)-hepta-1,5-diene-3,4-diol
CID 131234166
(2R,3S)-1-(hydroxyamino)pent-4-ene-2,3-diol
CID 101063277
hexakis(prop-2-ene-1,1-diol);zinc;hydrate
CID 177286598
(2R,3S)-3-hydroxy-2-propylpent-4-enoic acid
CID 135047760
tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate
CID 14541317
1,1,1-trichlorobut-3-en-2-ol
CID 12693686
(2R,3S)-1-(methylamino)pent-4-ene-2,3-diol
CID 46933718

Frequently Asked Questions

What is the IUPAC name of 4-ethenylhexa-1,5-dien-3-ol?
The IUPAC name of 4-ethenylhexa-1,5-dien-3-ol (CID 15402805) is 4-ethenylhexa-1,5-dien-3-ol.
What is the SMILES notation for 4-ethenylhexa-1,5-dien-3-ol?
The canonical SMILES for 4-ethenylhexa-1,5-dien-3-ol is C=CC(O)C(C=C)C=C.
What is the InChIKey of 4-ethenylhexa-1,5-dien-3-ol?
The InChIKey is USTYPICLGXGFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-4-7(5-2)8(9)6-3/h4-9H,1-3H2.
What are the key properties of 4-ethenylhexa-1,5-dien-3-ol?
4-ethenylhexa-1,5-dien-3-ol has a molecular weight of 124.18 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylhexa-1,5-dien-3-ol is sourced from PubChem (CID 15402805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).