9,10-dioctyloctadeca-7,11-diene

C34H66 — CID 173120989

IUPAC9,10-dioctyloctadeca-7,11-diene
SMILESCCCCCCC=CC(CCCCCCCC)C(C=CCCCCCC)CCCCCCCC
InChIInChI=1S/C34H66/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2)34(31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h25,27,29,31,33-34H,5-24,26,28,30,32H2,1-4H3
InChIKeyMEAGWWQTVZBQHN-UHFFFAOYSA-N
MW474.90 g/mol
LogP12.77
Rot. Bonds27

About 9,10-dioctyloctadeca-7,11-diene

9,10-dioctyloctadeca-7,11-diene (PubChem CID 173120989) has the molecular formula C34H66 and a molecular weight of 474.90 g/mol. Its IUPAC name is 9,10-dioctyloctadeca-7,11-diene.

Molecular Properties

Compound Name9,10-dioctyloctadeca-7,11-diene
PubChem CID173120989
Molecular FormulaC34H66
Molecular Weight474.90 g/mol
Exact Mass474.52
IUPAC Name9,10-dioctyloctadeca-7,11-diene
SMILESCCCCCCC=CC(CCCCCCCC)C(C=CCCCCCC)CCCCCCCC
InChIInChI=1S/C34H66/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2)34(31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h25,27,29,31,33-34H,5-24,26,28,30,32H2,1-4H3
InChIKeyMEAGWWQTVZBQHN-UHFFFAOYSA-N
XLogP12.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.90
LogP ≤ 512.77
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

9-hexan-2-ylpentadec-7-ene
CID 57270482
(E)-3-formyl-4-heptyltridec-5-enoic acid
CID 142420349
tetrakis[(E)-hept-1-enyl]phosphanium
CID 118306753
(E)-6-butylhexacos-7-ene
CID 173194372
(E,11S)-11-methyltricos-9-ene
CID 163215390
(E)-10-methylheptadec-8-ene
CID 10923034
henicos-7-en-6-ol
CID 91409967
2,11-dimethylhexadec-3-ene
CID 123962533
7-methylhexadec-5-ene
CID 150059561
5-methylpentadec-6-ene
CID 123440014
(E)-2,23-dimethyl-12,13-dioctyltetracos-10-ene-3,22-dione
CID 156627173
(E)-2-methylheptadec-7-ene
CID 173124832

Frequently Asked Questions

What is the IUPAC name of 9,10-dioctyloctadeca-7,11-diene?
The IUPAC name of 9,10-dioctyloctadeca-7,11-diene (CID 173120989) is 9,10-dioctyloctadeca-7,11-diene.
What is the SMILES notation for 9,10-dioctyloctadeca-7,11-diene?
The canonical SMILES for 9,10-dioctyloctadeca-7,11-diene is CCCCCCC=CC(CCCCCCCC)C(C=CCCCCCC)CCCCCCCC.
What is the InChIKey of 9,10-dioctyloctadeca-7,11-diene?
The InChIKey is MEAGWWQTVZBQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2)34(31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h25,27,29,31,33-34H,5-24,26,28,30,32H2,1-4H3.
What are the key properties of 9,10-dioctyloctadeca-7,11-diene?
9,10-dioctyloctadeca-7,11-diene has a molecular weight of 474.90 g/mol, XLogP of 12.77, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dioctyloctadeca-7,11-diene is sourced from PubChem (CID 173120989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).