5-ethyl-2-methylidenehepta-3,5-dienoic acid

C10H14O2 — CID 91121343

IUPAC5-ethyl-2-methylidenehepta-3,5-dienoic acid
SMILESC=C(C=CC(=CC)CC)C(=O)O
InChIInChI=1S/C10H14O2/c1-4-9(5-2)7-6-8(3)10(11)12/h4,6-7H,3,5H2,1-2H3,(H,11,12)
InChIKeyDTUYVSUWJXUTOD-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.54
Rot. Bonds4

About 5-ethyl-2-methylidenehepta-3,5-dienoic acid

5-ethyl-2-methylidenehepta-3,5-dienoic acid (PubChem CID 91121343) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-ethyl-2-methylidenehepta-3,5-dienoic acid.

Molecular Properties

Compound Name5-ethyl-2-methylidenehepta-3,5-dienoic acid
PubChem CID91121343
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-ethyl-2-methylidenehepta-3,5-dienoic acid
SMILESC=C(C=CC(=CC)CC)C(=O)O
InChIInChI=1S/C10H14O2/c1-4-9(5-2)7-6-8(3)10(11)12/h4,6-7H,3,5H2,1-2H3,(H,11,12)
InChIKeyDTUYVSUWJXUTOD-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-4-ethylhexa-2,4-dienoic acid
CID 10942523
(3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid
CID 142923981
(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid
CID 142042516
(3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene
CID 142868554
ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
CID 144709527
2-methylideneoct-3-enoic acid
CID 54236910
ethane;(3Z,5Z)-2-methylidenehepta-3,5-dienoic acid
CID 176938784
(3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene
CID 88543617
3-ethyl-N,N-dimethylpenta-1,3-dien-1-amine
CID 123262723
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
ethane;(3Z,5E)-2-methylidene-5-nitrohepta-3,5-dienoic acid
CID 142813071
(E)-2-methylidenehexadec-3-enoic acid
CID 87166223

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methylidenehepta-3,5-dienoic acid?
The IUPAC name of 5-ethyl-2-methylidenehepta-3,5-dienoic acid (CID 91121343) is 5-ethyl-2-methylidenehepta-3,5-dienoic acid.
What is the SMILES notation for 5-ethyl-2-methylidenehepta-3,5-dienoic acid?
The canonical SMILES for 5-ethyl-2-methylidenehepta-3,5-dienoic acid is C=C(C=CC(=CC)CC)C(=O)O.
What is the InChIKey of 5-ethyl-2-methylidenehepta-3,5-dienoic acid?
The InChIKey is DTUYVSUWJXUTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-9(5-2)7-6-8(3)10(11)12/h4,6-7H,3,5H2,1-2H3,(H,11,12).
What are the key properties of 5-ethyl-2-methylidenehepta-3,5-dienoic acid?
5-ethyl-2-methylidenehepta-3,5-dienoic acid has a molecular weight of 166.22 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methylidenehepta-3,5-dienoic acid is sourced from PubChem (CID 91121343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).