5-(3-methylbutan-2-yl)tridecane

C18H38 — CID 123909892

IUPAC5-(3-methylbutan-2-yl)tridecane
SMILESCCCCCCCCC(CCCC)C(C)C(C)C
InChIInChI=1S/C18H38/c1-6-8-10-11-12-13-15-18(14-9-7-2)17(5)16(3)4/h16-18H,6-15H2,1-5H3
InChIKeyOHDRCHRMFDHTLW-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.84
Rot. Bonds12

About 5-(3-methylbutan-2-yl)tridecane

5-(3-methylbutan-2-yl)tridecane (PubChem CID 123909892) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 5-(3-methylbutan-2-yl)tridecane.

Molecular Properties

Compound Name5-(3-methylbutan-2-yl)tridecane
PubChem CID123909892
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name5-(3-methylbutan-2-yl)tridecane
SMILESCCCCCCCCC(CCCC)C(C)C(C)C
InChIInChI=1S/C18H38/c1-6-8-10-11-12-13-15-18(14-9-7-2)17(5)16(3)4/h16-18H,6-15H2,1-5H3
InChIKeyOHDRCHRMFDHTLW-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.84
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

4-ethyl-2,3,9-trimethylhexadecane
CID 123304219
8-propan-2-ylpentadecane
CID 153475308
6-propan-2-yltridecane
CID 123704479
8,9-dibutylhexadecane
CID 530025
5,13,19-trimethylheptatriacontane
CID 172565409
5,23-dimethyltritriacontane
CID 71339926
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384
5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472
5,15-dimethylpentatriacontane
CID 6430641
5,17-dimethylnonacosane
CID 56936184

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutan-2-yl)tridecane?
The IUPAC name of 5-(3-methylbutan-2-yl)tridecane (CID 123909892) is 5-(3-methylbutan-2-yl)tridecane.
What is the SMILES notation for 5-(3-methylbutan-2-yl)tridecane?
The canonical SMILES for 5-(3-methylbutan-2-yl)tridecane is CCCCCCCCC(CCCC)C(C)C(C)C.
What is the InChIKey of 5-(3-methylbutan-2-yl)tridecane?
The InChIKey is OHDRCHRMFDHTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-6-8-10-11-12-13-15-18(14-9-7-2)17(5)16(3)4/h16-18H,6-15H2,1-5H3.
What are the key properties of 5-(3-methylbutan-2-yl)tridecane?
5-(3-methylbutan-2-yl)tridecane has a molecular weight of 254.50 g/mol, XLogP of 6.84, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutan-2-yl)tridecane is sourced from PubChem (CID 123909892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).