(E)-5-methylhept-4-enoic acid

C8H14O2 — CID 83694352

IUPAC(E)-5-methylhept-4-enoic acid
SMILESCC/C(C)=C/CCC(=O)O
InChIInChI=1S/C8H14O2/c1-3-7(2)5-4-6-8(9)10/h5H,3-4,6H2,1-2H3,(H,9,10)/b7-5+
InChIKeySRZROCIHKKEPTM-FNORWQNLSA-N
MW142.20 g/mol
LogP2.21
Rot. Bonds4

About (E)-5-methylhept-4-enoic acid

(E)-5-methylhept-4-enoic acid (PubChem CID 83694352) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (E)-5-methylhept-4-enoic acid.

Molecular Properties

Compound Name(E)-5-methylhept-4-enoic acid
PubChem CID83694352
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(E)-5-methylhept-4-enoic acid
SMILESCC/C(C)=C/CCC(=O)O
InChIInChI=1S/C8H14O2/c1-3-7(2)5-4-6-8(9)10/h5H,3-4,6H2,1-2H3,(H,9,10)/b7-5+
InChIKeySRZROCIHKKEPTM-FNORWQNLSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.21
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

(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(2E)-3,7-dimethylnona-2,6-dienoic acid
CID 170842129
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
(E)-7-methylnon-6-en-3-one
CID 22749805
(Z)-7-hydroxy-5-methylhept-4-enoic acid
CID 175085361
(8E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 58369785
(E)-4-methylhex-3-enoic acid
CID 14197237
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874
(Z)-4-methylhex-3-enoic acid
CID 14197236
ethyl (Z)-5-methylhept-4-enoate
CID 11116490
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid
CID 11076782

Frequently Asked Questions

What is the IUPAC name of (E)-5-methylhept-4-enoic acid?
The IUPAC name of (E)-5-methylhept-4-enoic acid (CID 83694352) is (E)-5-methylhept-4-enoic acid.
What is the SMILES notation for (E)-5-methylhept-4-enoic acid?
The canonical SMILES for (E)-5-methylhept-4-enoic acid is CC/C(C)=C/CCC(=O)O.
What is the InChIKey of (E)-5-methylhept-4-enoic acid?
The InChIKey is SRZROCIHKKEPTM-FNORWQNLSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-7(2)5-4-6-8(9)10/h5H,3-4,6H2,1-2H3,(H,9,10)/b7-5+.
What are the key properties of (E)-5-methylhept-4-enoic acid?
(E)-5-methylhept-4-enoic acid has a molecular weight of 142.20 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methylhept-4-enoic acid is sourced from PubChem (CID 83694352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).