(E)-2-butylhept-4-enoic acid

C11H20O2 — CID 166071472

IUPAC(E)-2-butylhept-4-enoic acid
SMILESCC/C=C/CC(CCCC)C(=O)O
InChIInChI=1S/C11H20O2/c1-3-5-7-9-10(11(12)13)8-6-4-2/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,12,13)/b7-5+
InChIKeyMBYYKUFJYMXJCG-FNORWQNLSA-N
MW184.28 g/mol
LogP3.23
Rot. Bonds7

About (E)-2-butylhept-4-enoic acid

(E)-2-butylhept-4-enoic acid (PubChem CID 166071472) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-2-butylhept-4-enoic acid.

Molecular Properties

Compound Name(E)-2-butylhept-4-enoic acid
PubChem CID166071472
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-2-butylhept-4-enoic acid
SMILESCC/C=C/CC(CCCC)C(=O)O
InChIInChI=1S/C11H20O2/c1-3-5-7-9-10(11(12)13)8-6-4-2/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,12,13)/b7-5+
InChIKeyMBYYKUFJYMXJCG-FNORWQNLSA-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

7-ethoxycarbonyl-2-pentyldodec-4-enoic acid
CID 71386217
CID 87702087
CID 87702087
2-amino-2,7-dibutyloct-4-enedioic acid
CID 71386199
azane;2,7-dibutyloctanedioic acid
CID 174821009
2-dodecyloctadeca-9,12,15-trienoic acid
CID 54256759
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397
λ2-stannane;2-propylhexanoic acid
CID 174232814
copper 2-ethylhexanoic acid
CID 54604905
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
2-ethylhexanoic acid;palladium(2+)
CID 18629949
phosphane;2-propylhexanoic acid
CID 87429538

Frequently Asked Questions

What is the IUPAC name of (E)-2-butylhept-4-enoic acid?
The IUPAC name of (E)-2-butylhept-4-enoic acid (CID 166071472) is (E)-2-butylhept-4-enoic acid.
What is the SMILES notation for (E)-2-butylhept-4-enoic acid?
The canonical SMILES for (E)-2-butylhept-4-enoic acid is CC/C=C/CC(CCCC)C(=O)O.
What is the InChIKey of (E)-2-butylhept-4-enoic acid?
The InChIKey is MBYYKUFJYMXJCG-FNORWQNLSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-7-9-10(11(12)13)8-6-4-2/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,12,13)/b7-5+.
What are the key properties of (E)-2-butylhept-4-enoic acid?
(E)-2-butylhept-4-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 (E)-2-butylhept-4-enoic acid is sourced from PubChem (CID 166071472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).