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

C11H20O2 — CID 166071483

IUPAC(Z)-2-butylhept-3-enoic acid
SMILESCCC/C=C\C(CCCC)C(=O)O
InChIInChI=1S/C11H20O2/c1-3-5-7-9-10(11(12)13)8-6-4-2/h7,9-10H,3-6,8H2,1-2H3,(H,12,13)/b9-7-
InChIKeyAPYBTPACQBYVLH-CLFYSBASSA-N
MW184.28 g/mol
LogP3.23
Rot. Bonds7

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

(Z)-2-butylhept-3-enoic acid (PubChem CID 166071483) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (Z)-2-butylhept-3-enoic acid.

Molecular Properties

Compound Name(Z)-2-butylhept-3-enoic acid
PubChem CID166071483
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(Z)-2-butylhept-3-enoic acid
SMILESCCC/C=C\C(CCCC)C(=O)O
InChIInChI=1S/C11H20O2/c1-3-5-7-9-10(11(12)13)8-6-4-2/h7,9-10H,3-6,8H2,1-2H3,(H,12,13)/b9-7-
InChIKeyAPYBTPACQBYVLH-CLFYSBASSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.23
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

(Z)-2-propylhept-3-enoic acid
CID 156873646
(E)-2-butylhex-3-enoic acid
CID 20517887
2-[(E)-hex-1-enyl]nonanoic acid
CID 89229549
(E)-2-butyloct-3-enoic acid;methyl hexanoate
CID 175934998
2-[(E)-henicos-1-enyl]pentanedioic acid
CID 22912638
2-octadec-1-enylpentanedioic acid
CID 74003712
(E)-2-ethylnon-3-enoic acid
CID 166071468
2-hexylhex-3-enedioic acid
CID 142465672
(E)-2-(2-oxopropyl)tetradec-3-enoic acid
CID 134266543
sodium (E)-3-carboxyoct-4-enoate
CID 102118531
2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid
CID 134223187
(E)-2-propylhex-3-enoic acid
CID 156873563

Frequently Asked Questions

What is the IUPAC name of (Z)-2-butylhept-3-enoic acid?
The IUPAC name of (Z)-2-butylhept-3-enoic acid (CID 166071483) is (Z)-2-butylhept-3-enoic acid.
What is the SMILES notation for (Z)-2-butylhept-3-enoic acid?
The canonical SMILES for (Z)-2-butylhept-3-enoic acid is CCC/C=C\C(CCCC)C(=O)O.
What is the InChIKey of (Z)-2-butylhept-3-enoic acid?
The InChIKey is APYBTPACQBYVLH-CLFYSBASSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-7-9-10(11(12)13)8-6-4-2/h7,9-10H,3-6,8H2,1-2H3,(H,12,13)/b9-7-.
What are the key properties of (Z)-2-butylhept-3-enoic acid?
(Z)-2-butylhept-3-enoic acid has a molecular weight of 184.28 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-butylhept-3-enoic acid is sourced from PubChem (CID 166071483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).