3-ethenyl-3-(2-hydroxyethyl)pentane-1,5-diol

C9H18O3 — CID 160533031

IUPAC3-ethenyl-3-(2-hydroxyethyl)pentane-1,5-diol
SMILESC=CC(CCO)(CCO)CCO
InChIInChI=1S/C9H18O3/c1-2-9(3-6-10,4-7-11)5-8-12/h2,10-12H,1,3-8H2
InChIKeyVKMBRAPUWBASSH-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.31
Rot. Bonds7

About 3-ethenyl-3-(2-hydroxyethyl)pentane-1,5-diol

3-ethenyl-3-(2-hydroxyethyl)pentane-1,5-diol (PubChem CID 160533031) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-ethenyl-3-(2-hydroxyethyl)pentane-1,5-diol.

Molecular Properties

Compound Name3-ethenyl-3-(2-hydroxyethyl)pentane-1,5-diol
PubChem CID160533031
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name3-ethenyl-3-(2-hydroxyethyl)pentane-1,5-diol
SMILESC=CC(CCO)(CCO)CCO
InChIInChI=1S/C9H18O3/c1-2-9(3-6-10,4-7-11)5-8-12/h2,10-12H,1,3-8H2
InChIKeyVKMBRAPUWBASSH-UHFFFAOYSA-N
XLogP0.31
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethenyl-2-(hydroxymethyl)propane-1,3-diol
CID 21187086
3-ethenylpent-4-ene-1,3-diol
CID 57295100
3,3-dichloropent-4-en-1-ol
CID 130124779
2-ethenyl-2-(hydroxymethyl)-3,3-dimethylpentane-1,5-diol
CID 88651000
3-ethenyl-3-fluoro-4-methylpent-4-en-1-ol
CID 163674820
bis(ethane-1,2-diol);ethene;tetrakis(prop-1-ene)
CID 173186866
ethane-1,2-diol;ethene
CID 173008703
(ethane-1,2-diol);ethene
CID 173372663
[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] 6-hydroxy-4,4-bis(hydroxymethyl)hex-2-enoate
CID 122667801
(3E)-5,5-dimethylhepta-3,6-dien-1-ol
CID 10441786
1-aminopropane-1,1,3-triol
CID 54460463
buta-1,3-diene;bis(ethane-1,2-diol)
CID 87919637

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-(2-hydroxyethyl)pentane-1,5-diol?
The IUPAC name of 3-ethenyl-3-(2-hydroxyethyl)pentane-1,5-diol (CID 160533031) is 3-ethenyl-3-(2-hydroxyethyl)pentane-1,5-diol.
What is the SMILES notation for 3-ethenyl-3-(2-hydroxyethyl)pentane-1,5-diol?
The canonical SMILES for 3-ethenyl-3-(2-hydroxyethyl)pentane-1,5-diol is C=CC(CCO)(CCO)CCO.
What is the InChIKey of 3-ethenyl-3-(2-hydroxyethyl)pentane-1,5-diol?
The InChIKey is VKMBRAPUWBASSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-2-9(3-6-10,4-7-11)5-8-12/h2,10-12H,1,3-8H2.
What are the key properties of 3-ethenyl-3-(2-hydroxyethyl)pentane-1,5-diol?
3-ethenyl-3-(2-hydroxyethyl)pentane-1,5-diol has a molecular weight of 174.24 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-(2-hydroxyethyl)pentane-1,5-diol is sourced from PubChem (CID 160533031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).