(2E)-6-methylhept-2-enoic acid

C8H14O2 — CID 10374557

IUPAC(E)-6-methylhept-2-enoic acid
SMILESCC(C)CC/C=C/C(=O)O
InChIInChI=1S/C8H14O2/c1-7(2)5-3-4-6-8(9)10/h4,6-7H,3,5H2,1-2H3,(H,9,10)/b6-4+
InChIKeyRKQHHPKZOBFSRR-GQCTYLIASA-N
MW142.20 g/mol
LogP2.40
Rot. Bonds4

About (2E)-6-methylhept-2-enoic acid

(2E)-6-methylhept-2-enoic acid (PubChem CID 10374557) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (E)-6-methylhept-2-enoic acid.

Molecular Properties

Compound Name(2E)-6-methylhept-2-enoic acid
PubChem CID10374557
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(E)-6-methylhept-2-enoic acid
SMILESCC(C)CC/C=C/C(=O)O
InChIInChI=1S/C8H14O2/c1-7(2)5-3-4-6-8(9)10/h4,6-7H,3,5H2,1-2H3,(H,9,10)/b6-4+
InChIKeyRKQHHPKZOBFSRR-GQCTYLIASA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity125

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

trans-2-Octenoic acid
CID 5282714
2-Hexenoic acid, (2E)-
CID 5282707
2-Heptenoic acid
CID 5282709
4-Methyl-2-pentenoic acid
CID 12216200
2-Hexenoic acid
CID 14486
2-Nonenoic acid
CID 97730
2-Octenoic acid
CID 5282713
Nonenoic acid
CID 5312586
cis-11-Methyl-2-dodecenoic acid
CID 11469920
Oct-2-enoic acid
CID 73850
cis-2-Nonenoic acid
CID 5282722
(2~{E},4~{E},6~{S})-4,6-dimethyldeca-2,4-dienoic acid
CID 121012351

Frequently Asked Questions

What is the IUPAC name of (2E)-6-methylhept-2-enoic acid?
The IUPAC name of (2E)-6-methylhept-2-enoic acid (CID 10374557) is (E)-6-methylhept-2-enoic acid.
What is the SMILES notation for (2E)-6-methylhept-2-enoic acid?
The canonical SMILES for (2E)-6-methylhept-2-enoic acid is CC(C)CC/C=C/C(=O)O.
What is the InChIKey of (2E)-6-methylhept-2-enoic acid?
The InChIKey is RKQHHPKZOBFSRR-GQCTYLIASA-N. The full InChI is InChI=1S/C8H14O2/c1-7(2)5-3-4-6-8(9)10/h4,6-7H,3,5H2,1-2H3,(H,9,10)/b6-4+.
What are the key properties of (2E)-6-methylhept-2-enoic acid?
(2E)-6-methylhept-2-enoic acid has a molecular weight of 142.20 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-methylhept-2-enoic acid is sourced from PubChem (CID 10374557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).