(E)-2-propylhex-3-enoic acid

C9H16O2 — CID 156873563

IUPAC(E)-2-propylhex-3-enoic acid
SMILESCC/C=C/C(CCC)C(=O)O
InChIInChI=1S/C9H16O2/c1-3-5-7-8(6-4-2)9(10)11/h5,7-8H,3-4,6H2,1-2H3,(H,10,11)/b7-5+
InChIKeyBIPZDZWHGLIKKH-FNORWQNLSA-N
MW156.22 g/mol
LogP2.45
Rot. Bonds5

About (E)-2-propylhex-3-enoic acid

(E)-2-propylhex-3-enoic acid (PubChem CID 156873563) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (E)-2-propylhex-3-enoic acid.

Molecular Properties

Compound Name(E)-2-propylhex-3-enoic acid
PubChem CID156873563
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(E)-2-propylhex-3-enoic acid
SMILESCC/C=C/C(CCC)C(=O)O
InChIInChI=1S/C9H16O2/c1-3-5-7-8(6-4-2)9(10)11/h5,7-8H,3-4,6H2,1-2H3,(H,10,11)/b7-5+
InChIKeyBIPZDZWHGLIKKH-FNORWQNLSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.45
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

(E)-2-butylhex-3-enoic acid
CID 20517887
2-[(Z)-but-1-enyl]oct-5-enoic acid
CID 174237174
(Z)-2-propylhept-3-enoic acid
CID 156873646
2-[(E)-but-1-enyl]hexanedioic acid
CID 18980848
2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid
CID 134223187
(Z)-2-butylhept-3-enoic acid
CID 166071483
(E)-5-methylidene-6-propyldec-7-en-2-one
CID 102189804
2-[(Z)-but-1-enyl]propanedioic acid
CID 139985300
2-[(E)-hex-1-enyl]nonanoic acid
CID 89229549
2-hexylhex-3-enedioic acid
CID 142465672
(E,2R)-5-[(2R)-2-acetamido-2-carboxyethyl]sulfanyl-2-propylpent-3-enoic acid
CID 122197275
2-propylpenta-3,4-dienoic acid
CID 55302925

Frequently Asked Questions

What is the IUPAC name of (E)-2-propylhex-3-enoic acid?
The IUPAC name of (E)-2-propylhex-3-enoic acid (CID 156873563) is (E)-2-propylhex-3-enoic acid.
What is the SMILES notation for (E)-2-propylhex-3-enoic acid?
The canonical SMILES for (E)-2-propylhex-3-enoic acid is CC/C=C/C(CCC)C(=O)O.
What is the InChIKey of (E)-2-propylhex-3-enoic acid?
The InChIKey is BIPZDZWHGLIKKH-FNORWQNLSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-7-8(6-4-2)9(10)11/h5,7-8H,3-4,6H2,1-2H3,(H,10,11)/b7-5+.
What are the key properties of (E)-2-propylhex-3-enoic acid?
(E)-2-propylhex-3-enoic acid has a molecular weight of 156.22 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-propylhex-3-enoic acid is sourced from PubChem (CID 156873563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).