2,10,11-trimethylicos-1-ene

C23H46 — CID 123857380

IUPAC2,10,11-trimethylicos-1-ene
SMILESC=C(C)CCCCCCCC(C)C(C)CCCCCCCCC
InChIInChI=1S/C23H46/c1-6-7-8-9-10-13-16-19-22(4)23(5)20-17-14-11-12-15-18-21(2)3/h22-23H,2,6-20H2,1,3-5H3
InChIKeyWNJZEIFLAMQITM-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.71
Rot. Bonds17

About 2,10,11-trimethylicos-1-ene

2,10,11-trimethylicos-1-ene (PubChem CID 123857380) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 2,10,11-trimethylicos-1-ene.

Molecular Properties

Compound Name2,10,11-trimethylicos-1-ene
PubChem CID123857380
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name2,10,11-trimethylicos-1-ene
SMILESC=C(C)CCCCCCCC(C)C(C)CCCCCCCCC
InChIInChI=1S/C23H46/c1-6-7-8-9-10-13-16-19-22(4)23(5)20-17-14-11-12-15-18-21(2)3/h22-23H,2,6-20H2,1,3-5H3
InChIKeyWNJZEIFLAMQITM-UHFFFAOYSA-N
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.71
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

2,11-dimethylnonadec-1-ene
CID 123484198
2-methyltetradec-1-ene
CID 521375
ethane;2-methyloct-1-ene
CID 143077596
ethane;2-methyloct-1-ene;propane
CID 177190898
ethane;2-methylhept-1-ene
CID 143682307
ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene
CID 143703494
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyltricosane
CID 173430605
11,12-dimethyloctacosane
CID 23345853
8,9-dimethylhexacosane
CID 160651612
ethane;ethene;2-methylhex-1-ene;octane;6-pentylundecane
CID 177138791

Frequently Asked Questions

What is the IUPAC name of 2,10,11-trimethylicos-1-ene?
The IUPAC name of 2,10,11-trimethylicos-1-ene (CID 123857380) is 2,10,11-trimethylicos-1-ene.
What is the SMILES notation for 2,10,11-trimethylicos-1-ene?
The canonical SMILES for 2,10,11-trimethylicos-1-ene is C=C(C)CCCCCCCC(C)C(C)CCCCCCCCC.
What is the InChIKey of 2,10,11-trimethylicos-1-ene?
The InChIKey is WNJZEIFLAMQITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-6-7-8-9-10-13-16-19-22(4)23(5)20-17-14-11-12-15-18-21(2)3/h22-23H,2,6-20H2,1,3-5H3.
What are the key properties of 2,10,11-trimethylicos-1-ene?
2,10,11-trimethylicos-1-ene has a molecular weight of 322.62 g/mol, XLogP of 8.71, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10,11-trimethylicos-1-ene is sourced from PubChem (CID 123857380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).