5-butan-2-yl-3-methyldecane

C15H32 — CID 123136840

IUPAC5-butan-2-yl-3-methyldecane
SMILESCCCCCC(CC(C)CC)C(C)CC
InChIInChI=1S/C15H32/c1-6-9-10-11-15(14(5)8-3)12-13(4)7-2/h13-15H,6-12H2,1-5H3
InChIKeyRARCWEJDYQICBC-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.67
Rot. Bonds9

About 5-butan-2-yl-3-methyldecane

5-butan-2-yl-3-methyldecane (PubChem CID 123136840) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 5-butan-2-yl-3-methyldecane.

Molecular Properties

Compound Name5-butan-2-yl-3-methyldecane
PubChem CID123136840
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name5-butan-2-yl-3-methyldecane
SMILESCCCCCC(CC(C)CC)C(C)CC
InChIInChI=1S/C15H32/c1-6-9-10-11-15(14(5)8-3)12-13(4)7-2/h13-15H,6-12H2,1-5H3
InChIKeyRARCWEJDYQICBC-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.67
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-3-methylundecane
CID 57279647
8-butan-2-yl-6-ethylpentadecane
CID 123398993
2-butan-2-ylheptan-1-ol
CID 86041006
8-butan-2-yl-4-methyltetradecane
CID 123224994
3,5-dimethylpentacosane
CID 86177199
9,10-diethyloctadecane
CID 530164
3,4,10-trimethyl-6-propan-2-ylpentadecane
CID 91517020
5-butyl-3-methyldodecane
CID 91590933
3-methyl-6-propan-2-ylundecane
CID 123788850
16-butan-2-ylhexacos-6-yne
CID 22223780
(3R)-3-methyltetracosane
CID 162842417
2,4-dimethylhexane;hexane
CID 174686373

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-methyldecane?
The IUPAC name of 5-butan-2-yl-3-methyldecane (CID 123136840) is 5-butan-2-yl-3-methyldecane.
What is the SMILES notation for 5-butan-2-yl-3-methyldecane?
The canonical SMILES for 5-butan-2-yl-3-methyldecane is CCCCCC(CC(C)CC)C(C)CC.
What is the InChIKey of 5-butan-2-yl-3-methyldecane?
The InChIKey is RARCWEJDYQICBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-6-9-10-11-15(14(5)8-3)12-13(4)7-2/h13-15H,6-12H2,1-5H3.
What are the key properties of 5-butan-2-yl-3-methyldecane?
5-butan-2-yl-3-methyldecane has a molecular weight of 212.42 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-methyldecane is sourced from PubChem (CID 123136840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).