(4R)-4-methylpentadecane

C16H34 — CID 98062361

IUPAC(4R)-4-methylpentadecane
SMILESCCCCCCCCCCC[C@H](C)CCC
InChIInChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-15-16(3)14-5-2/h16H,4-15H2,1-3H3/t16-/m1/s1
InChIKeyODDVOCXSLXTIIU-MRXNPFEDSA-N
MW226.45 g/mol
LogP6.34
Rot. Bonds12

About (4R)-4-methylpentadecane

(4R)-4-methylpentadecane (PubChem CID 98062361) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is (4R)-4-methylpentadecane.

Molecular Properties

Compound Name(4R)-4-methylpentadecane
PubChem CID98062361
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name(4R)-4-methylpentadecane
SMILESCCCCCCCCCCC[C@H](C)CCC
InChIInChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-15-16(3)14-5-2/h16H,4-15H2,1-3H3/t16-/m1/s1
InChIKeyODDVOCXSLXTIIU-MRXNPFEDSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.34
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-methyltritriacontane
CID 71346224
(4R)-4-methyldecane
CID 57191620
(4S)-4-methyltridecane
CID 24884428
4,9-dimethylpentadecane
CID 123851930
4-methyloctadecane
CID 517866
4,10-dimethyltriacontane
CID 6430425
4,8,14-trimethyltetratriacontane
CID 6431076
4,13-dimethylheptadecane
CID 6430494
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
8-methyloctadecane
CID 530154
11-methylpentacosane
CID 526107

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methylpentadecane?
The IUPAC name of (4R)-4-methylpentadecane (CID 98062361) is (4R)-4-methylpentadecane.
What is the SMILES notation for (4R)-4-methylpentadecane?
The canonical SMILES for (4R)-4-methylpentadecane is CCCCCCCCCCC[C@H](C)CCC.
What is the InChIKey of (4R)-4-methylpentadecane?
The InChIKey is ODDVOCXSLXTIIU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-15-16(3)14-5-2/h16H,4-15H2,1-3H3/t16-/m1/s1.
What are the key properties of (4R)-4-methylpentadecane?
(4R)-4-methylpentadecane has a molecular weight of 226.45 g/mol, XLogP of 6.34, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methylpentadecane is sourced from PubChem (CID 98062361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).