2,5,11-trimethyl-4-propyldodecane

C18H38 — CID 123176237

IUPAC2,5,11-trimethyl-4-propyldodecane
SMILESCCCC(CC(C)C)C(C)CCCCCC(C)C
InChIInChI=1S/C18H38/c1-7-11-18(14-16(4)5)17(6)13-10-8-9-12-15(2)3/h15-18H,7-14H2,1-6H3
InChIKeyMULNXIXJBIJAGQ-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.69
Rot. Bonds11

About 2,5,11-trimethyl-4-propyldodecane

2,5,11-trimethyl-4-propyldodecane (PubChem CID 123176237) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 2,5,11-trimethyl-4-propyldodecane.

Molecular Properties

Compound Name2,5,11-trimethyl-4-propyldodecane
PubChem CID123176237
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name2,5,11-trimethyl-4-propyldodecane
SMILESCCCC(CC(C)C)C(C)CCCCCC(C)C
InChIInChI=1S/C18H38/c1-7-11-18(14-16(4)5)17(6)13-10-8-9-12-15(2)3/h15-18H,7-14H2,1-6H3
InChIKeyMULNXIXJBIJAGQ-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.69
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

2,5-dimethyl-4-propyloctane
CID 57491236
2,9,10-trimethyltridecane
CID 123263779
6-ethyl-2-methyl-7-propylpentadecane
CID 123507470
2,13-dimethyl-4-propan-2-yltetradecane
CID 140816601
5-(2-methylpropyl)-7-pentan-2-yltetradecane
CID 123467304
3,7-dimethyl-6-(2-methylpropyl)undecane
CID 123589473
2-methyl-4-propan-2-ylheptane
CID 21201044
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
7-(2-methylpropyl)-6-pentyltridecane
CID 54089544

Frequently Asked Questions

What is the IUPAC name of 2,5,11-trimethyl-4-propyldodecane?
The IUPAC name of 2,5,11-trimethyl-4-propyldodecane (CID 123176237) is 2,5,11-trimethyl-4-propyldodecane.
What is the SMILES notation for 2,5,11-trimethyl-4-propyldodecane?
The canonical SMILES for 2,5,11-trimethyl-4-propyldodecane is CCCC(CC(C)C)C(C)CCCCCC(C)C.
What is the InChIKey of 2,5,11-trimethyl-4-propyldodecane?
The InChIKey is MULNXIXJBIJAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-7-11-18(14-16(4)5)17(6)13-10-8-9-12-15(2)3/h15-18H,7-14H2,1-6H3.
What are the key properties of 2,5,11-trimethyl-4-propyldodecane?
2,5,11-trimethyl-4-propyldodecane has a molecular weight of 254.50 g/mol, XLogP of 6.69, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,11-trimethyl-4-propyldodecane is sourced from PubChem (CID 123176237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).