(Z)-hex-3-ene;propanoic acid

C9H18O2 — CID 174827236

IUPAC(Z)-hex-3-ene;propanoic acid
SMILESCC/C=C\CC.CCC(=O)O
InChIInChI=1S/C6H12.C3H6O2/c1-3-5-6-4-2;1-2-3(4)5/h5-6H,3-4H2,1-2H3;2H2,1H3,(H,4,5)/b6-5-;
InChIKeyNIWQRGWOOFSSQR-YSMBQZINSA-N
MW158.24 g/mol
LogP2.84
Rot. Bonds3

About (Z)-hex-3-ene;propanoic acid

(Z)-hex-3-ene;propanoic acid (PubChem CID 174827236) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (Z)-hex-3-ene;propanoic acid.

Molecular Properties

Compound Name(Z)-hex-3-ene;propanoic acid
PubChem CID174827236
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(Z)-hex-3-ene;propanoic acid
SMILESCC/C=C\CC.CCC(=O)O
InChIInChI=1S/C6H12.C3H6O2/c1-3-5-6-4-2;1-2-3(4)5/h5-6H,3-4H2,1-2H3;2H2,1H3,(H,4,5)/b6-5-;
InChIKeyNIWQRGWOOFSSQR-YSMBQZINSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.84
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

hex-3-en-1-ol;propanoic acid
CID 71381024
acetic acid;(Z)-hex-3-ene
CID 87142970
carbamic acid;(Z)-hex-3-ene
CID 158256779
carbamic acid;hex-3-ene
CID 175321124
mercury(2+);propanoic acid
CID 23623813
propanoic acid;yttrium
CID 59015039
CID 87066971
CID 87066971
propanoic acid;hydrate
CID 57432895
alumane;propanoic acid
CID 173234599
nickel;propanoic acid
CID 54601332
propanoic acid;dihydrochloride
CID 87391840
propanoic acid;dihydrofluoride
CID 173419874

Frequently Asked Questions

What is the IUPAC name of (Z)-hex-3-ene;propanoic acid?
The IUPAC name of (Z)-hex-3-ene;propanoic acid (CID 174827236) is (Z)-hex-3-ene;propanoic acid.
What is the SMILES notation for (Z)-hex-3-ene;propanoic acid?
The canonical SMILES for (Z)-hex-3-ene;propanoic acid is CC/C=C\CC.CCC(=O)O.
What is the InChIKey of (Z)-hex-3-ene;propanoic acid?
The InChIKey is NIWQRGWOOFSSQR-YSMBQZINSA-N. The full InChI is InChI=1S/C6H12.C3H6O2/c1-3-5-6-4-2;1-2-3(4)5/h5-6H,3-4H2,1-2H3;2H2,1H3,(H,4,5)/b6-5-;.
What are the key properties of (Z)-hex-3-ene;propanoic acid?
(Z)-hex-3-ene;propanoic acid has a molecular weight of 158.24 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hex-3-ene;propanoic acid is sourced from PubChem (CID 174827236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).