6-methyl-6-propan-2-ylundecane

C15H32 — CID 87930599

IUPAC6-methyl-6-propan-2-ylundecane
SMILESCCCCCC(C)(CCCCC)C(C)C
InChIInChI=1S/C15H32/c1-6-8-10-12-15(5,14(3)4)13-11-9-7-2/h14H,6-13H2,1-5H3
InChIKeyVVQFEYVTCNBOKG-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.81
Rot. Bonds9

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

6-methyl-6-propan-2-ylundecane (PubChem CID 87930599) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 6-methyl-6-propan-2-ylundecane.

Molecular Properties

Compound Name6-methyl-6-propan-2-ylundecane
PubChem CID87930599
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name6-methyl-6-propan-2-ylundecane
SMILESCCCCCC(C)(CCCCC)C(C)C
InChIInChI=1S/C15H32/c1-6-8-10-12-15(5,14(3)4)13-11-9-7-2/h14H,6-13H2,1-5H3
InChIKeyVVQFEYVTCNBOKG-UHFFFAOYSA-N
XLogP5.81
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 ≤ 55.81
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

3-ethyl-2,3-dimethylnonane
CID 57490996
3-ethyl-2,3-dimethyldecane
CID 57491701
N,2-dimethyl-2-propan-2-yloctan-1-amine
CID 83159293
N-tert-butyl-2-methyl-2-propan-2-ylheptan-1-amine
CID 83150707
N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine
CID 83151435
2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide
CID 126626622
3-methyl-3-propyloctan-2-ol
CID 20501793
2-methyl-2-propan-2-yl-N-propyloctan-1-amine
CID 83159495
2,3-dimethyl-3-propan-2-yldodecane
CID 150435624
2,3,3-trimethyloctadecane
CID 90966938
ethane;2,3,3-trimethyloctane
CID 142049944
(5S)-5-methyl-5-propan-2-ylnonan-2-one
CID 157356592

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-propan-2-ylundecane?
The IUPAC name of 6-methyl-6-propan-2-ylundecane (CID 87930599) is 6-methyl-6-propan-2-ylundecane.
What is the SMILES notation for 6-methyl-6-propan-2-ylundecane?
The canonical SMILES for 6-methyl-6-propan-2-ylundecane is CCCCCC(C)(CCCCC)C(C)C.
What is the InChIKey of 6-methyl-6-propan-2-ylundecane?
The InChIKey is VVQFEYVTCNBOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-6-8-10-12-15(5,14(3)4)13-11-9-7-2/h14H,6-13H2,1-5H3.
What are the key properties of 6-methyl-6-propan-2-ylundecane?
6-methyl-6-propan-2-ylundecane has a molecular weight of 212.42 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-propan-2-ylundecane is sourced from PubChem (CID 87930599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).