(E)-7,7-dimethyloct-4-enoic acid

C10H18O2 — CID 12813420

IUPAC(E)-7,7-dimethyloct-4-enoic acid
SMILESCC(C)(C)C/C=C/CCC(=O)O
InChIInChI=1S/C10H18O2/c1-10(2,3)8-6-4-5-7-9(11)12/h4,6H,5,7-8H2,1-3H3,(H,11,12)/b6-4+
InChIKeyJDHJLFUDGZNVAX-GQCTYLIASA-N
MW170.25 g/mol
LogP2.84
Rot. Bonds4

About (E)-7,7-dimethyloct-4-enoic acid

(E)-7,7-dimethyloct-4-enoic acid (PubChem CID 12813420) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-7,7-dimethyloct-4-enoic acid.

Molecular Properties

Compound Name(E)-7,7-dimethyloct-4-enoic acid
PubChem CID12813420
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-7,7-dimethyloct-4-enoic acid
SMILESCC(C)(C)C/C=C/CCC(=O)O
InChIInChI=1S/C10H18O2/c1-10(2,3)8-6-4-5-7-9(11)12/h4,6H,5,7-8H2,1-3H3,(H,11,12)/b6-4+
InChIKeyJDHJLFUDGZNVAX-GQCTYLIASA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.84
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

Doconexent
CID 445580
4-Decenoic Acid
CID 93732
4-Decenoic acid, (4E)-
CID 5282726
Docosa-4,7,10,13,16,19-hexaenoic acid
CID 3144
(4E)-4-Heptenoic acid
CID 5282711
4-Octenoic acid, (4E)-
CID 6433715
Cis-dec-4-enoic acid
CID 5312351
4,7,10,13,16,19-Docosahexaenoic acid
CID 5353594
2,2-Dimethyl-4-pentenoic acid
CID 140065
(4E,7E,10Z,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 6433873
Hex-4-enoic acid
CID 638127
(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoic acid
CID 5312433

Frequently Asked Questions

What is the IUPAC name of (E)-7,7-dimethyloct-4-enoic acid?
The IUPAC name of (E)-7,7-dimethyloct-4-enoic acid (CID 12813420) is (E)-7,7-dimethyloct-4-enoic acid.
What is the SMILES notation for (E)-7,7-dimethyloct-4-enoic acid?
The canonical SMILES for (E)-7,7-dimethyloct-4-enoic acid is CC(C)(C)C/C=C/CCC(=O)O.
What is the InChIKey of (E)-7,7-dimethyloct-4-enoic acid?
The InChIKey is JDHJLFUDGZNVAX-GQCTYLIASA-N. The full InChI is InChI=1S/C10H18O2/c1-10(2,3)8-6-4-5-7-9(11)12/h4,6H,5,7-8H2,1-3H3,(H,11,12)/b6-4+.
What are the key properties of (E)-7,7-dimethyloct-4-enoic acid?
(E)-7,7-dimethyloct-4-enoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7,7-dimethyloct-4-enoic acid is sourced from PubChem (CID 12813420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).