9-ethyl-2,3,4-trimethyl-5-propyltetradecane

C22H46 — CID 123402203

IUPAC9-ethyl-2,3,4-trimethyl-5-propyltetradecane
SMILESCCCCCC(CC)CCCC(CCC)C(C)C(C)C(C)C
InChIInChI=1S/C22H46/c1-8-11-12-15-21(10-3)16-13-17-22(14-9-2)20(7)19(6)18(4)5/h18-22H,8-17H2,1-7H3
InChIKeyJREBRELABPUCAU-UHFFFAOYSA-N
MW310.61 g/mol
LogP8.11
Rot. Bonds14

About 9-ethyl-2,3,4-trimethyl-5-propyltetradecane

9-ethyl-2,3,4-trimethyl-5-propyltetradecane (PubChem CID 123402203) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is 9-ethyl-2,3,4-trimethyl-5-propyltetradecane.

Molecular Properties

Compound Name9-ethyl-2,3,4-trimethyl-5-propyltetradecane
PubChem CID123402203
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Name9-ethyl-2,3,4-trimethyl-5-propyltetradecane
SMILESCCCCCC(CC)CCCC(CCC)C(C)C(C)C(C)C
InChIInChI=1S/C22H46/c1-8-11-12-15-21(10-3)16-13-17-22(14-9-2)20(7)19(6)18(4)5/h18-22H,8-17H2,1-7H3
InChIKeyJREBRELABPUCAU-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

19-ethyl-15-methyltetratriacontane
CID 123150994
15,19-didecyl-11-ethyl-23-methyltritriacontane
CID 175146840
5-(3-methylbutan-2-yl)tridecane
CID 123909892
4-ethylnonadecane
CID 22223766
4-ethylhexadecane
CID 528433
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
13-ethyl-3,8-dimethyloctadecane
CID 123214629
4-ethyl-2,3,9-trimethylhexadecane
CID 123304219
4-propan-2-yldecane
CID 15038736

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2,3,4-trimethyl-5-propyltetradecane?
The IUPAC name of 9-ethyl-2,3,4-trimethyl-5-propyltetradecane (CID 123402203) is 9-ethyl-2,3,4-trimethyl-5-propyltetradecane.
What is the SMILES notation for 9-ethyl-2,3,4-trimethyl-5-propyltetradecane?
The canonical SMILES for 9-ethyl-2,3,4-trimethyl-5-propyltetradecane is CCCCCC(CC)CCCC(CCC)C(C)C(C)C(C)C.
What is the InChIKey of 9-ethyl-2,3,4-trimethyl-5-propyltetradecane?
The InChIKey is JREBRELABPUCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46/c1-8-11-12-15-21(10-3)16-13-17-22(14-9-2)20(7)19(6)18(4)5/h18-22H,8-17H2,1-7H3.
What are the key properties of 9-ethyl-2,3,4-trimethyl-5-propyltetradecane?
9-ethyl-2,3,4-trimethyl-5-propyltetradecane has a molecular weight of 310.61 g/mol, XLogP of 8.11, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2,3,4-trimethyl-5-propyltetradecane is sourced from PubChem (CID 123402203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).