13-ethyl-2,11,14-trimethylheptadec-1-ene

C22H44 — CID 123611134

IUPAC13-ethyl-2,11,14-trimethylheptadec-1-ene
SMILESC=C(C)CCCCCCCCC(C)CC(CC)C(C)CCC
InChIInChI=1S/C22H44/c1-7-15-21(6)22(8-2)18-20(5)17-14-12-10-9-11-13-16-19(3)4/h20-22H,3,7-18H2,1-2,4-6H3
InChIKeyNRBFGRAEAMXPOL-UHFFFAOYSA-N
MW308.59 g/mol
LogP8.17
Rot. Bonds15

About 13-ethyl-2,11,14-trimethylheptadec-1-ene

13-ethyl-2,11,14-trimethylheptadec-1-ene (PubChem CID 123611134) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is 13-ethyl-2,11,14-trimethylheptadec-1-ene.

Molecular Properties

Compound Name13-ethyl-2,11,14-trimethylheptadec-1-ene
PubChem CID123611134
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Name13-ethyl-2,11,14-trimethylheptadec-1-ene
SMILESC=C(C)CCCCCCCCC(C)CC(CC)C(C)CCC
InChIInChI=1S/C22H44/c1-7-15-21(6)22(8-2)18-20(5)17-14-12-10-9-11-13-16-19(3)4/h20-22H,3,7-18H2,1-2,4-6H3
InChIKeyNRBFGRAEAMXPOL-UHFFFAOYSA-N
XLogP8.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 58.17
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

2,7-dimethylnon-1-ene
CID 123682074
2,11-dimethylnonadec-1-ene
CID 123484198
2,10,11-trimethylicos-1-ene
CID 123857380
6-ethyl-4,7-dimethylundecane
CID 123910768
(3S,5S)-5,9-dimethyldec-9-en-3-ol
CID 92860070
ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene
CID 143703494
3,5-dimethyl-10-methylidenepentadecane
CID 123460821
3,9,11-trimethyltetradecane
CID 158626683
8-methylnon-8-en-4-amine
CID 79185360
11,13-dimethylpentadecan-2-one
CID 88850025
5-ethyl-2,11-dimethyl-13-propylhexadeca-1,14-diene-6-thiol
CID 167082947
2,18-dimethyl-3-methylideneicosane
CID 123398512

Frequently Asked Questions

What is the IUPAC name of 13-ethyl-2,11,14-trimethylheptadec-1-ene?
The IUPAC name of 13-ethyl-2,11,14-trimethylheptadec-1-ene (CID 123611134) is 13-ethyl-2,11,14-trimethylheptadec-1-ene.
What is the SMILES notation for 13-ethyl-2,11,14-trimethylheptadec-1-ene?
The canonical SMILES for 13-ethyl-2,11,14-trimethylheptadec-1-ene is C=C(C)CCCCCCCCC(C)CC(CC)C(C)CCC.
What is the InChIKey of 13-ethyl-2,11,14-trimethylheptadec-1-ene?
The InChIKey is NRBFGRAEAMXPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44/c1-7-15-21(6)22(8-2)18-20(5)17-14-12-10-9-11-13-16-19(3)4/h20-22H,3,7-18H2,1-2,4-6H3.
What are the key properties of 13-ethyl-2,11,14-trimethylheptadec-1-ene?
13-ethyl-2,11,14-trimethylheptadec-1-ene has a molecular weight of 308.59 g/mol, XLogP of 8.17, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-2,11,14-trimethylheptadec-1-ene is sourced from PubChem (CID 123611134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).