2-prop-2-enylpent-4-ene-1,2-diol

C8H14O2 — CID 13218060

IUPAC2-prop-2-enylpent-4-ene-1,2-diol
SMILESC=CCC(O)(CO)CC=C
InChIInChI=1S/C8H14O2/c1-3-5-8(10,7-9)6-4-2/h3-4,9-10H,1-2,5-7H2
InChIKeyUDWAGCGDBIVYAJ-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.86
Rot. Bonds5

About 2-prop-2-enylpent-4-ene-1,2-diol

2-prop-2-enylpent-4-ene-1,2-diol (PubChem CID 13218060) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-prop-2-enylpent-4-ene-1,2-diol.

Molecular Properties

Compound Name2-prop-2-enylpent-4-ene-1,2-diol
PubChem CID13218060
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-prop-2-enylpent-4-ene-1,2-diol
SMILESC=CCC(O)(CO)CC=C
InChIInChI=1S/C8H14O2/c1-3-5-8(10,7-9)6-4-2/h3-4,9-10H,1-2,5-7H2
InChIKeyUDWAGCGDBIVYAJ-UHFFFAOYSA-N
XLogP0.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol
CID 87691553
4-(2-hydroxyethoxymethyl)hepta-1,6-dien-4-ol
CID 22034395
4-[(dimethylamino)methyl]hepta-1,6-dien-4-ol
CID 87299853
4-[2-[bis(3-hydroxy-3-prop-2-enylhex-5-enyl)amino]ethyl]hepta-1,6-dien-4-ol
CID 87817168
2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol
CID 23007820
4-(3-bromopropyl)hepta-1,6-dien-4-ol
CID 23007811
2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol
CID 155341339
4-aminohepta-1,6-dien-4-ol
CID 87970022
1-tert-butylsulfanyl-2-(tert-butylsulfanylmethyl)pent-4-en-2-ol
CID 71669760
2-amino-2-methylpent-4-en-1-ol
CID 55291318
2-(aminomethyl)-2-prop-2-enylpent-4-en-1-ol
CID 170682410
(2R)-2-fluoro-2-methylpent-4-en-1-ol
CID 57283986

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylpent-4-ene-1,2-diol?
The IUPAC name of 2-prop-2-enylpent-4-ene-1,2-diol (CID 13218060) is 2-prop-2-enylpent-4-ene-1,2-diol.
What is the SMILES notation for 2-prop-2-enylpent-4-ene-1,2-diol?
The canonical SMILES for 2-prop-2-enylpent-4-ene-1,2-diol is C=CCC(O)(CO)CC=C.
What is the InChIKey of 2-prop-2-enylpent-4-ene-1,2-diol?
The InChIKey is UDWAGCGDBIVYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-8(10,7-9)6-4-2/h3-4,9-10H,1-2,5-7H2.
What are the key properties of 2-prop-2-enylpent-4-ene-1,2-diol?
2-prop-2-enylpent-4-ene-1,2-diol has a molecular weight of 142.20 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylpent-4-ene-1,2-diol is sourced from PubChem (CID 13218060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).