(Z)-2-propylhept-3-enoic acid

C10H18O2 — CID 156873646

IUPAC(Z)-2-propylhept-3-enoic acid
SMILESCCC/C=C\C(CCC)C(=O)O
InChIInChI=1S/C10H18O2/c1-3-5-6-8-9(7-4-2)10(11)12/h6,8-9H,3-5,7H2,1-2H3,(H,11,12)/b8-6-
InChIKeyAMYUDXVEUWKNNB-VURMDHGXSA-N
MW170.25 g/mol
LogP2.84
Rot. Bonds6

About (Z)-2-propylhept-3-enoic acid

(Z)-2-propylhept-3-enoic acid (PubChem CID 156873646) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (Z)-2-propylhept-3-enoic acid.

Molecular Properties

Compound Name(Z)-2-propylhept-3-enoic acid
PubChem CID156873646
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(Z)-2-propylhept-3-enoic acid
SMILESCCC/C=C\C(CCC)C(=O)O
InChIInChI=1S/C10H18O2/c1-3-5-6-8-9(7-4-2)10(11)12/h6,8-9H,3-5,7H2,1-2H3,(H,11,12)/b8-6-
InChIKeyAMYUDXVEUWKNNB-VURMDHGXSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-2-propylhept-3-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-butylhept-3-enoic acid
CID 166071483
(E)-2-propylhex-3-enoic acid
CID 156873563
sodium (E)-3-carboxyoct-4-enoate
CID 102118531
2-[(E)-hex-1-enyl]nonanoic acid
CID 89229549
2-[(Z)-but-1-enyl]oct-5-enoic acid
CID 174237174
(E)-2-butylhex-3-enoic acid
CID 20517887
2-[(E)-henicos-1-enyl]pentanedioic acid
CID 22912638
2-octadec-1-enylpentanedioic acid
CID 74003712
(6R)-6-methylnon-4-ene
CID 175484589
(E)-2-ethylnon-3-enoic acid
CID 166071468
(E)-2-(2-oxopropyl)tetradec-3-enoic acid
CID 134266543
2-[2-(3-hydroxypropylamino)-2-oxoethyl]hept-3-enoic acid
CID 141484966

Frequently Asked Questions

What is the IUPAC name of (Z)-2-propylhept-3-enoic acid?
The IUPAC name of (Z)-2-propylhept-3-enoic acid (CID 156873646) is (Z)-2-propylhept-3-enoic acid.
What is the SMILES notation for (Z)-2-propylhept-3-enoic acid?
The canonical SMILES for (Z)-2-propylhept-3-enoic acid is CCC/C=C\C(CCC)C(=O)O.
What is the InChIKey of (Z)-2-propylhept-3-enoic acid?
The InChIKey is AMYUDXVEUWKNNB-VURMDHGXSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-6-8-9(7-4-2)10(11)12/h6,8-9H,3-5,7H2,1-2H3,(H,11,12)/b8-6-.
What are the key properties of (Z)-2-propylhept-3-enoic acid?
(Z)-2-propylhept-3-enoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-propylhept-3-enoic acid is sourced from PubChem (CID 156873646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).