9,10-dimethylicos-9-ene

C22H44 — CID 86104511

IUPAC9,10-dimethylicos-9-ene
SMILESCCCCCCCCCCC(C)=C(C)CCCCCCCC
InChIInChI=1S/C22H44/c1-5-7-9-11-13-14-16-18-20-22(4)21(3)19-17-15-12-10-8-6-2/h5-20H2,1-4H3
InChIKeyGKQUXOGPBNTTAX-UHFFFAOYSA-N
MW308.59 g/mol
LogP8.60
Rot. Bonds16

About 9,10-dimethylicos-9-ene

9,10-dimethylicos-9-ene (PubChem CID 86104511) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is 9,10-dimethylicos-9-ene.

Molecular Properties

Compound Name9,10-dimethylicos-9-ene
PubChem CID86104511
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Name9,10-dimethylicos-9-ene
SMILESCCCCCCCCCCC(C)=C(C)CCCCCCCC
InChIInChI=1S/C22H44/c1-5-7-9-11-13-14-16-18-20-22(4)21(3)19-17-15-12-10-8-6-2/h5-20H2,1-4H3
InChIKeyGKQUXOGPBNTTAX-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 58.60
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

Cyclopentene, 1-ethyl-2-methyl-
CID 88243
1,2-Dimethylcyclohexene
CID 15480
Cyclohexene, 1-ethyl-2-methyl-
CID 88242
Cembrene C
CID 14336535
8-Heptadecene, 9-octyl-
CID 292287
2-Heptene, 2,3-dimethyl-
CID 137816
2-Octene, 2,3-dimethyl-
CID 140599
Cycloheptene, 1,2-dimethyl-
CID 519742
Bicyclo[7.7.0]hexadec-1(9)-ene
CID 534882
5,6-Dibutyl-dec-5-ene
CID 11807167
1-Hexadecyl-cyclopentene
CID 19000578
1-Dodecyl-cyclopentene
CID 54360767

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethylicos-9-ene?
The IUPAC name of 9,10-dimethylicos-9-ene (CID 86104511) is 9,10-dimethylicos-9-ene.
What is the SMILES notation for 9,10-dimethylicos-9-ene?
The canonical SMILES for 9,10-dimethylicos-9-ene is CCCCCCCCCCC(C)=C(C)CCCCCCCC.
What is the InChIKey of 9,10-dimethylicos-9-ene?
The InChIKey is GKQUXOGPBNTTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44/c1-5-7-9-11-13-14-16-18-20-22(4)21(3)19-17-15-12-10-8-6-2/h5-20H2,1-4H3.
What are the key properties of 9,10-dimethylicos-9-ene?
9,10-dimethylicos-9-ene has a molecular weight of 308.59 g/mol, XLogP of 8.60, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethylicos-9-ene is sourced from PubChem (CID 86104511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).