octadeca-2,10-diene

C18H34 — CID 54270716

IUPACoctadeca-2,10-diene
SMILESCC=CCCCCCCC=CCCCCCCC
InChIInChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3,5,16,18H,4,6-15,17H2,1-2H3
InChIKeyRJXIMHJUIWLSNE-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.82
Rot. Bonds13

About octadeca-2,10-diene

octadeca-2,10-diene (PubChem CID 54270716) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is octadeca-2,10-diene.

Molecular Properties

Compound Nameoctadeca-2,10-diene
PubChem CID54270716
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Nameoctadeca-2,10-diene
SMILESCC=CCCCCCCC=CCCCCCCC
InChIInChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3,5,16,18H,4,6-15,17H2,1-2H3
InChIKeyRJXIMHJUIWLSNE-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

(2E,8Z)-pentadeca-2,8-diene
CID 173032001
pentadeca-2,6-diene
CID 165019979
(Z)-icos-2-ene
CID 5352524
pentadeca-2,10-diene
CID 174048350
(Z)-oct-2-ene
CID 5356796
sodium;hydride;octadec-2-ene
CID 175594563
(2Z,6E)-dodeca-2,6-diene;palladium
CID 158734810
oct-2-ene;hydrochloride
CID 86744102
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178

Frequently Asked Questions

What is the IUPAC name of octadeca-2,10-diene?
The IUPAC name of octadeca-2,10-diene (CID 54270716) is octadeca-2,10-diene.
What is the SMILES notation for octadeca-2,10-diene?
The canonical SMILES for octadeca-2,10-diene is CC=CCCCCCCC=CCCCCCCC.
What is the InChIKey of octadeca-2,10-diene?
The InChIKey is RJXIMHJUIWLSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3,5,16,18H,4,6-15,17H2,1-2H3.
What are the key properties of octadeca-2,10-diene?
octadeca-2,10-diene has a molecular weight of 250.47 g/mol, XLogP of 6.82, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octadeca-2,10-diene is sourced from PubChem (CID 54270716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).