(3E)-3-ethylideneoct-7-enoic acid

C10H16O2 — CID 22672889

IUPAC(3E)-3-ethylideneoct-7-enoic acid
SMILESC=CCCC/C(=C\C)CC(=O)O
InChIInChI=1S/C10H16O2/c1-3-5-6-7-9(4-2)8-10(11)12/h3-4H,1,5-8H2,2H3,(H,11,12)/b9-4+
InChIKeyODTNUAAARLIWHL-RUDMXATFSA-N
MW168.24 g/mol
LogP2.76
Rot. Bonds6

About (3E)-3-ethylideneoct-7-enoic acid

(3E)-3-ethylideneoct-7-enoic acid (PubChem CID 22672889) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3E)-3-ethylideneoct-7-enoic acid.

Molecular Properties

Compound Name(3E)-3-ethylideneoct-7-enoic acid
PubChem CID22672889
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3E)-3-ethylideneoct-7-enoic acid
SMILESC=CCCC/C(=C\C)CC(=O)O
InChIInChI=1S/C10H16O2/c1-3-5-6-7-9(4-2)8-10(11)12/h3-4H,1,5-8H2,2H3,(H,11,12)/b9-4+
InChIKeyODTNUAAARLIWHL-RUDMXATFSA-N
XLogP2.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6E)-6-ethylidenedec-1-ene
CID 173031906
3-oxoundec-10-enoic acid
CID 126707830
(2Z)-octa-2,7-dien-3-ol
CID 11116072
7-ethylnona-1,7-diene
CID 54551079
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
tritriacont-32-enoic acid
CID 54063641
6,8-dimethylidenetrideca-1,12-dien-7-one
CID 121004746
nonadec-18-enoic acid
CID 543857
octadec-17-enoic acid
CID 5312444
N-tert-butylhex-5-enamide
CID 15640339
4,4-dideuterionon-8-enoic acid
CID 10820841
buta-1,3-diene;propanedioic acid
CID 122461573

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylideneoct-7-enoic acid?
The IUPAC name of (3E)-3-ethylideneoct-7-enoic acid (CID 22672889) is (3E)-3-ethylideneoct-7-enoic acid.
What is the SMILES notation for (3E)-3-ethylideneoct-7-enoic acid?
The canonical SMILES for (3E)-3-ethylideneoct-7-enoic acid is C=CCCC/C(=C\C)CC(=O)O.
What is the InChIKey of (3E)-3-ethylideneoct-7-enoic acid?
The InChIKey is ODTNUAAARLIWHL-RUDMXATFSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-6-7-9(4-2)8-10(11)12/h3-4H,1,5-8H2,2H3,(H,11,12)/b9-4+.
What are the key properties of (3E)-3-ethylideneoct-7-enoic acid?
(3E)-3-ethylideneoct-7-enoic acid has a molecular weight of 168.24 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylideneoct-7-enoic acid is sourced from PubChem (CID 22672889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).