3-methyl-6-propan-2-ylundecane

C15H32 — CID 123788850

IUPAC3-methyl-6-propan-2-ylundecane
SMILESCCCCCC(CCC(C)CC)C(C)C
InChIInChI=1S/C15H32/c1-6-8-9-10-15(13(3)4)12-11-14(5)7-2/h13-15H,6-12H2,1-5H3
InChIKeyAHRVXOOTMACZDX-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.67
Rot. Bonds9

About 3-methyl-6-propan-2-ylundecane

3-methyl-6-propan-2-ylundecane (PubChem CID 123788850) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 3-methyl-6-propan-2-ylundecane.

Molecular Properties

Compound Name3-methyl-6-propan-2-ylundecane
PubChem CID123788850
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name3-methyl-6-propan-2-ylundecane
SMILESCCCCCC(CCC(C)CC)C(C)C
InChIInChI=1S/C15H32/c1-6-8-9-10-15(13(3)4)12-11-14(5)7-2/h13-15H,6-12H2,1-5H3
InChIKeyAHRVXOOTMACZDX-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

8-propan-2-ylpentadecane
CID 153475308
6-propan-2-yltridecane
CID 123704479
6-tert-butyl-7-(3-methylpentyl)tridecane
CID 173260029
2,3-dimethylbutane;3-methylundecane
CID 173307544
4-propan-2-yldecane
CID 15038736
3-methyldodecane
CID 28469
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
(3R)-3-methyltetracosane
CID 162842417
6-butyl-3,7-dimethylundecane
CID 123359248
3,13,19-trimethylheptatriacontane
CID 172565400

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-ylundecane?
The IUPAC name of 3-methyl-6-propan-2-ylundecane (CID 123788850) is 3-methyl-6-propan-2-ylundecane.
What is the SMILES notation for 3-methyl-6-propan-2-ylundecane?
The canonical SMILES for 3-methyl-6-propan-2-ylundecane is CCCCCC(CCC(C)CC)C(C)C.
What is the InChIKey of 3-methyl-6-propan-2-ylundecane?
The InChIKey is AHRVXOOTMACZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-6-8-9-10-15(13(3)4)12-11-14(5)7-2/h13-15H,6-12H2,1-5H3.
What are the key properties of 3-methyl-6-propan-2-ylundecane?
3-methyl-6-propan-2-ylundecane 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 3-methyl-6-propan-2-ylundecane is sourced from PubChem (CID 123788850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).