(E)-2-octyldec-2-enoic acid

C18H34O2 — CID 87824483

IUPAC(E)-2-octyldec-2-enoic acid
SMILESCCCCCCC/C=C(\CCCCCCCC)C(=O)O
InChIInChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-17(18(19)20)16-14-12-10-8-6-4-2/h15H,3-14,16H2,1-2H3,(H,19,20)/b17-15+
InChIKeyIDCAKUIEBJEUIQ-BMRADRMJSA-N
MW282.47 g/mol
LogP6.11
Rot. Bonds14

About (E)-2-octyldec-2-enoic acid

(E)-2-octyldec-2-enoic acid (PubChem CID 87824483) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (E)-2-octyldec-2-enoic acid.

Molecular Properties

Compound Name(E)-2-octyldec-2-enoic acid
PubChem CID87824483
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(E)-2-octyldec-2-enoic acid
SMILESCCCCCCC/C=C(\CCCCCCCC)C(=O)O
InChIInChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-17(18(19)20)16-14-12-10-8-6-4-2/h15H,3-14,16H2,1-2H3,(H,19,20)/b17-15+
InChIKeyIDCAKUIEBJEUIQ-BMRADRMJSA-N
XLogP6.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-octylundec-2-enoic acid
CID 87266721
11,11-diethyl-2-octyltridec-2-enoic acid
CID 141205952
(E)-2-(2-methoxyethyl)dec-2-enoic acid
CID 174791406
2-octadecylidenebutanedioic acid
CID 141239026
2-octylpent-2-enedioic acid
CID 78151404
2-dodecylpentadec-2-enamide
CID 173002797
9-acetyloctadec-9-enoic acid
CID 123865371
(2Z)-2-ethylideneicosanoic acid
CID 130276561
2-octadecyldocos-2-enal
CID 54072385
2-hexylidenenonanal
CID 54074680
2-nonylidenedodecanediamide
CID 154630805
2-nonadecylidenepropanedioic acid
CID 19832661

Frequently Asked Questions

What is the IUPAC name of (E)-2-octyldec-2-enoic acid?
The IUPAC name of (E)-2-octyldec-2-enoic acid (CID 87824483) is (E)-2-octyldec-2-enoic acid.
What is the SMILES notation for (E)-2-octyldec-2-enoic acid?
The canonical SMILES for (E)-2-octyldec-2-enoic acid is CCCCCCC/C=C(\CCCCCCCC)C(=O)O.
What is the InChIKey of (E)-2-octyldec-2-enoic acid?
The InChIKey is IDCAKUIEBJEUIQ-BMRADRMJSA-N. The full InChI is InChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-17(18(19)20)16-14-12-10-8-6-4-2/h15H,3-14,16H2,1-2H3,(H,19,20)/b17-15+.
What are the key properties of (E)-2-octyldec-2-enoic acid?
(E)-2-octyldec-2-enoic acid has a molecular weight of 282.47 g/mol, XLogP of 6.11, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-octyldec-2-enoic acid is sourced from PubChem (CID 87824483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).