hex-3-en-1-ol;propanoic acid

C9H18O3 — CID 71381024

IUPAChex-3-en-1-ol;propanoic acid
SMILESCCC(=O)O.CCC=CCCO
InChIInChI=1S/C6H12O.C3H6O2/c1-2-3-4-5-6-7;1-2-3(4)5/h3-4,7H,2,5-6H2,1H3;2H2,1H3,(H,4,5)
InChIKeyLFUDUDRZOZTOCI-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.82
Rot. Bonds4

About hex-3-en-1-ol;propanoic acid

hex-3-en-1-ol;propanoic acid (PubChem CID 71381024) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is hex-3-en-1-ol;propanoic acid.

Molecular Properties

Compound Namehex-3-en-1-ol;propanoic acid
PubChem CID71381024
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Namehex-3-en-1-ol;propanoic acid
SMILESCCC(=O)O.CCC=CCCO
InChIInChI=1S/C6H12O.C3H6O2/c1-2-3-4-5-6-7;1-2-3(4)5/h3-4,7H,2,5-6H2,1H3;2H2,1H3,(H,4,5)
InChIKeyLFUDUDRZOZTOCI-UHFFFAOYSA-N
XLogP1.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.82
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

(Z)-hex-3-ene;propanoic acid
CID 174827236
hex-3-en-1-ol;2-methylidenebutanedioic acid
CID 174232748
(Z)-hex-3-en-1-ol;oct-3-enoic acid;(Z)-oct-5-enoic acid
CID 175781756
hept-4-enoic acid;hydrochloride
CID 143782457
but-2-ene-1,4-diol;propanoic acid
CID 71351033
(Z)-hex-3-en-1-ol;2-hydroxybenzoic acid
CID 174957389
acetic acid;(Z)-hex-3-ene
CID 87142970
propanoic acid;(Z)-tetradec-9-en-1-ol
CID 175420248
(4Z,7E,10Z,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652072
(4Z,7E,10E,13Z,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122651975
(4E,7Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 151038001
(4E,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 57417355

Frequently Asked Questions

What is the IUPAC name of hex-3-en-1-ol;propanoic acid?
The IUPAC name of hex-3-en-1-ol;propanoic acid (CID 71381024) is hex-3-en-1-ol;propanoic acid.
What is the SMILES notation for hex-3-en-1-ol;propanoic acid?
The canonical SMILES for hex-3-en-1-ol;propanoic acid is CCC(=O)O.CCC=CCCO.
What is the InChIKey of hex-3-en-1-ol;propanoic acid?
The InChIKey is LFUDUDRZOZTOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C3H6O2/c1-2-3-4-5-6-7;1-2-3(4)5/h3-4,7H,2,5-6H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of hex-3-en-1-ol;propanoic acid?
hex-3-en-1-ol;propanoic acid has a molecular weight of 174.24 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-3-en-1-ol;propanoic acid is sourced from PubChem (CID 71381024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).