7-butyl-2-methyl-6-propan-2-yltridecane

C21H44 — CID 123825241

IUPAC7-butyl-2-methyl-6-propan-2-yltridecane
SMILESCCCCCCC(CCCC)C(CCCC(C)C)C(C)C
InChIInChI=1S/C21H44/c1-7-9-11-12-16-20(15-10-8-2)21(19(5)6)17-13-14-18(3)4/h18-21H,7-17H2,1-6H3
InChIKeyFSPFCRSUIXNJOI-UHFFFAOYSA-N
MW296.58 g/mol
LogP7.86
Rot. Bonds14

About 7-butyl-2-methyl-6-propan-2-yltridecane

7-butyl-2-methyl-6-propan-2-yltridecane (PubChem CID 123825241) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 7-butyl-2-methyl-6-propan-2-yltridecane.

Molecular Properties

Compound Name7-butyl-2-methyl-6-propan-2-yltridecane
PubChem CID123825241
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name7-butyl-2-methyl-6-propan-2-yltridecane
SMILESCCCCCCC(CCCC)C(CCCC(C)C)C(C)C
InChIInChI=1S/C21H44/c1-7-9-11-12-16-20(15-10-8-2)21(19(5)6)17-13-14-18(3)4/h18-21H,7-17H2,1-6H3
InChIKeyFSPFCRSUIXNJOI-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
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-methyl-10,11-bis(8-methylnonyl)docosane
CID 173154476
2-methyl-3-propan-2-yltetradecane
CID 154298453
ethane;methane;2-methylheptane;propane
CID 143683767
ethane;2-methyloctane;pentane
CID 144527652
bis(2-methylheptane);propane
CID 158714851
2-methyldecane
CID 23415
2-methylpentaoctacontane
CID 90745672
2-methyltetratriacontane
CID 14275207
ethane;hexane;2-methylhexane
CID 142051007
ethane;2-methylhexane;propane
CID 144516512
2-methyloctacosane
CID 519147
4-propan-2-yl-5-propylnonane
CID 54297700

Frequently Asked Questions

What is the IUPAC name of 7-butyl-2-methyl-6-propan-2-yltridecane?
The IUPAC name of 7-butyl-2-methyl-6-propan-2-yltridecane (CID 123825241) is 7-butyl-2-methyl-6-propan-2-yltridecane.
What is the SMILES notation for 7-butyl-2-methyl-6-propan-2-yltridecane?
The canonical SMILES for 7-butyl-2-methyl-6-propan-2-yltridecane is CCCCCCC(CCCC)C(CCCC(C)C)C(C)C.
What is the InChIKey of 7-butyl-2-methyl-6-propan-2-yltridecane?
The InChIKey is FSPFCRSUIXNJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-7-9-11-12-16-20(15-10-8-2)21(19(5)6)17-13-14-18(3)4/h18-21H,7-17H2,1-6H3.
What are the key properties of 7-butyl-2-methyl-6-propan-2-yltridecane?
7-butyl-2-methyl-6-propan-2-yltridecane has a molecular weight of 296.58 g/mol, XLogP of 7.86, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-2-methyl-6-propan-2-yltridecane is sourced from PubChem (CID 123825241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).