2,2,5-trimethyl-11-propan-2-ylpentadecane

C21H44 — CID 123879989

IUPAC2,2,5-trimethyl-11-propan-2-ylpentadecane
SMILESCCCCC(CCCCCC(C)CCC(C)(C)C)C(C)C
InChIInChI=1S/C21H44/c1-8-9-14-20(18(2)3)15-12-10-11-13-19(4)16-17-21(5,6)7/h18-20H,8-17H2,1-7H3
InChIKeyVUKWJNCAHOOWIU-UHFFFAOYSA-N
MW296.58 g/mol
LogP7.86
Rot. Bonds12

About 2,2,5-trimethyl-11-propan-2-ylpentadecane

2,2,5-trimethyl-11-propan-2-ylpentadecane (PubChem CID 123879989) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 2,2,5-trimethyl-11-propan-2-ylpentadecane.

Molecular Properties

Compound Name2,2,5-trimethyl-11-propan-2-ylpentadecane
PubChem CID123879989
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name2,2,5-trimethyl-11-propan-2-ylpentadecane
SMILESCCCCC(CCCCCC(C)CCC(C)(C)C)C(C)C
InChIInChI=1S/C21H44/c1-8-9-14-20(18(2)3)15-12-10-11-13-19(4)16-17-21(5,6)7/h18-20H,8-17H2,1-7H3
InChIKeyVUKWJNCAHOOWIU-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 57.86
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

2,2,5-trimethyldodecane
CID 54169953
2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane
CID 158588329
2,2,7-trimethylundecane
CID 57491501
8-propan-2-ylpentadecane
CID 153475308
6-propan-2-yltridecane
CID 123704479
5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472
5,13,19-trimethylheptatriacontane
CID 172565409
5,23-dimethyltritriacontane
CID 71339926
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384
5,17-dimethylnonacosane
CID 56936184

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-11-propan-2-ylpentadecane?
The IUPAC name of 2,2,5-trimethyl-11-propan-2-ylpentadecane (CID 123879989) is 2,2,5-trimethyl-11-propan-2-ylpentadecane.
What is the SMILES notation for 2,2,5-trimethyl-11-propan-2-ylpentadecane?
The canonical SMILES for 2,2,5-trimethyl-11-propan-2-ylpentadecane is CCCCC(CCCCCC(C)CCC(C)(C)C)C(C)C.
What is the InChIKey of 2,2,5-trimethyl-11-propan-2-ylpentadecane?
The InChIKey is VUKWJNCAHOOWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-8-9-14-20(18(2)3)15-12-10-11-13-19(4)16-17-21(5,6)7/h18-20H,8-17H2,1-7H3.
What are the key properties of 2,2,5-trimethyl-11-propan-2-ylpentadecane?
2,2,5-trimethyl-11-propan-2-ylpentadecane has a molecular weight of 296.58 g/mol, XLogP of 7.86, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-11-propan-2-ylpentadecane is sourced from PubChem (CID 123879989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).