3,11-dimethylpentadecane

C17H36 — CID 58340720

IUPAC3,11-dimethylpentadecane
SMILESCCCCC(C)CCCCCCCC(C)CC
InChIInChI=1S/C17H36/c1-5-7-13-17(4)15-12-10-8-9-11-14-16(3)6-2/h16-17H,5-15H2,1-4H3
InChIKeyQOHPLHYDNBLXJU-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.59
Rot. Bonds12

About 3,11-dimethylpentadecane

3,11-dimethylpentadecane (PubChem CID 58340720) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 3,11-dimethylpentadecane.

Molecular Properties

Compound Name3,11-dimethylpentadecane
PubChem CID58340720
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name3,11-dimethylpentadecane
SMILESCCCCC(C)CCCCCCCC(C)CC
InChIInChI=1S/C17H36/c1-5-7-13-17(4)15-12-10-8-9-11-14-16(3)6-2/h16-17H,5-15H2,1-4H3
InChIKeyQOHPLHYDNBLXJU-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.59
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

3,17-dimethylheptatriacontane
CID 6431061
3,13-dimethyltritriacontane
CID 6431058
3,13,19-trimethylheptatriacontane
CID 172565400
3,17-dimethylhentriacontane
CID 6431060
(3R,11S)-3,11-dimethyltricosane
CID 163011810
3,14-dimethylhexacosane
CID 91515224
3,7,15-trimethylnonacosane
CID 6430417
3,9,13,27-tetramethylhentetracontane
CID 6430636
3,7,11,15-tetramethylpentatriacontane
CID 6431066
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048

Frequently Asked Questions

What is the IUPAC name of 3,11-dimethylpentadecane?
The IUPAC name of 3,11-dimethylpentadecane (CID 58340720) is 3,11-dimethylpentadecane.
What is the SMILES notation for 3,11-dimethylpentadecane?
The canonical SMILES for 3,11-dimethylpentadecane is CCCCC(C)CCCCCCCC(C)CC.
What is the InChIKey of 3,11-dimethylpentadecane?
The InChIKey is QOHPLHYDNBLXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-5-7-13-17(4)15-12-10-8-9-11-14-16(3)6-2/h16-17H,5-15H2,1-4H3.
What are the key properties of 3,11-dimethylpentadecane?
3,11-dimethylpentadecane has a molecular weight of 240.47 g/mol, XLogP of 6.59, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-dimethylpentadecane is sourced from PubChem (CID 58340720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).