2,11-dimethylnonadec-1-ene

C21H42 — CID 123484198

IUPAC2,11-dimethylnonadec-1-ene
SMILESC=C(C)CCCCCCCCC(C)CCCCCCCC
InChIInChI=1S/C21H42/c1-5-6-7-8-12-15-18-21(4)19-16-13-10-9-11-14-17-20(2)3/h21H,2,5-19H2,1,3-4H3
InChIKeyIUCXTQUISFYXKY-UHFFFAOYSA-N
MW294.57 g/mol
LogP8.07
Rot. Bonds16

About 2,11-dimethylnonadec-1-ene

2,11-dimethylnonadec-1-ene (PubChem CID 123484198) has the molecular formula C21H42 and a molecular weight of 294.57 g/mol. Its IUPAC name is 2,11-dimethylnonadec-1-ene.

Molecular Properties

Compound Name2,11-dimethylnonadec-1-ene
PubChem CID123484198
Molecular FormulaC21H42
Molecular Weight294.57 g/mol
Exact Mass294.33
IUPAC Name2,11-dimethylnonadec-1-ene
SMILESC=C(C)CCCCCCCCC(C)CCCCCCCC
InChIInChI=1S/C21H42/c1-5-6-7-8-12-15-18-21(4)19-16-13-10-9-11-14-17-20(2)3/h21H,2,5-19H2,1,3-4H3
InChIKeyIUCXTQUISFYXKY-UHFFFAOYSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.57
LogP ≤ 58.07
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

2,10,11-trimethylicos-1-ene
CID 123857380
2,7-dimethylnon-1-ene
CID 123682074
2-methyltetradec-1-ene
CID 521375
ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene
CID 143703494
ethane;2-methyloct-1-ene
CID 143077596
ethane;2-methyloct-1-ene;propane
CID 177190898
ethane;2-methylhept-1-ene
CID 143682307
17-methylpentacosan-2-one
CID 57068605
(7R)-7-methyltricosane
CID 162971691
15-methylhexatriacontane
CID 86002594
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392

Frequently Asked Questions

What is the IUPAC name of 2,11-dimethylnonadec-1-ene?
The IUPAC name of 2,11-dimethylnonadec-1-ene (CID 123484198) is 2,11-dimethylnonadec-1-ene.
What is the SMILES notation for 2,11-dimethylnonadec-1-ene?
The canonical SMILES for 2,11-dimethylnonadec-1-ene is C=C(C)CCCCCCCCC(C)CCCCCCCC.
What is the InChIKey of 2,11-dimethylnonadec-1-ene?
The InChIKey is IUCXTQUISFYXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42/c1-5-6-7-8-12-15-18-21(4)19-16-13-10-9-11-14-17-20(2)3/h21H,2,5-19H2,1,3-4H3.
What are the key properties of 2,11-dimethylnonadec-1-ene?
2,11-dimethylnonadec-1-ene has a molecular weight of 294.57 g/mol, XLogP of 8.07, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11-dimethylnonadec-1-ene is sourced from PubChem (CID 123484198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).