2,2,13-trimethylpentadecane

C18H38 — CID 150334228

IUPAC2,2,13-trimethylpentadecane
SMILESCCC(C)CCCCCCCCCCC(C)(C)C
InChIInChI=1S/C18H38/c1-6-17(2)15-13-11-9-7-8-10-12-14-16-18(3,4)5/h17H,6-16H2,1-5H3
InChIKeyGQIAPUOCKBVJFV-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.98
Rot. Bonds11

About 2,2,13-trimethylpentadecane

2,2,13-trimethylpentadecane (PubChem CID 150334228) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 2,2,13-trimethylpentadecane.

Molecular Properties

Compound Name2,2,13-trimethylpentadecane
PubChem CID150334228
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name2,2,13-trimethylpentadecane
SMILESCCC(C)CCCCCCCCCCC(C)(C)C
InChIInChI=1S/C18H38/c1-6-17(2)15-13-11-9-7-8-10-12-14-16-18(3,4)5/h17H,6-16H2,1-5H3
InChIKeyGQIAPUOCKBVJFV-UHFFFAOYSA-N
XLogP6.98
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 ≤ 56.98
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

2,2,6-trimethyloctane
CID 522006
2,8-dimethyldecan-2-ol
CID 122367233
2,2,7,13-tetramethyltetradecane
CID 164934007
2,2,7-trimethylundecane
CID 57491501
2,2,3,10-tetramethyldodecane
CID 123238890
3,7,7-trimethyltridecane
CID 123996242
2-fluoro-N,13-dimethylpentadecan-2-amine
CID 134365966
1-chloro-3,8,8-trimethylnonane
CID 170172988
9,9-dimethyldecan-3-ol
CID 156689502
2,2,5-trimethyldodecane
CID 54169953
(3R)-3-methyloctadecane
CID 98094048
hexane;3-methylnonane
CID 173294071

Frequently Asked Questions

What is the IUPAC name of 2,2,13-trimethylpentadecane?
The IUPAC name of 2,2,13-trimethylpentadecane (CID 150334228) is 2,2,13-trimethylpentadecane.
What is the SMILES notation for 2,2,13-trimethylpentadecane?
The canonical SMILES for 2,2,13-trimethylpentadecane is CCC(C)CCCCCCCCCCC(C)(C)C.
What is the InChIKey of 2,2,13-trimethylpentadecane?
The InChIKey is GQIAPUOCKBVJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-6-17(2)15-13-11-9-7-8-10-12-14-16-18(3,4)5/h17H,6-16H2,1-5H3.
What are the key properties of 2,2,13-trimethylpentadecane?
2,2,13-trimethylpentadecane has a molecular weight of 254.50 g/mol, XLogP of 6.98, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,13-trimethylpentadecane is sourced from PubChem (CID 150334228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).