(4S)-4-methyltridecane

C14H30 — CID 24884428

IUPAC(4S)-4-methyltridecane
SMILESCCCCCCCCC[C@@H](C)CCC
InChIInChI=1S/C14H30/c1-4-6-7-8-9-10-11-13-14(3)12-5-2/h14H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyBPHJCXVZYVVFBT-AWEZNQCLSA-N
MW198.39 g/mol
LogP5.56
Rot. Bonds10

About (4S)-4-methyltridecane

(4S)-4-methyltridecane (PubChem CID 24884428) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is (4S)-4-methyltridecane.

Molecular Properties

Compound Name(4S)-4-methyltridecane
PubChem CID24884428
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name(4S)-4-methyltridecane
SMILESCCCCCCCCC[C@@H](C)CCC
InChIInChI=1S/C14H30/c1-4-6-7-8-9-10-11-13-14(3)12-5-2/h14H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyBPHJCXVZYVVFBT-AWEZNQCLSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.56
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
4,9-dimethylpentadecane
CID 123851930
4-methyloctadecane
CID 517866
(4R)-4-methylpentadecane
CID 98062361
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 (4S)-4-methyltridecane?
The IUPAC name of (4S)-4-methyltridecane (CID 24884428) is (4S)-4-methyltridecane.
What is the SMILES notation for (4S)-4-methyltridecane?
The canonical SMILES for (4S)-4-methyltridecane is CCCCCCCCC[C@@H](C)CCC.
What is the InChIKey of (4S)-4-methyltridecane?
The InChIKey is BPHJCXVZYVVFBT-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H30/c1-4-6-7-8-9-10-11-13-14(3)12-5-2/h14H,4-13H2,1-3H3/t14-/m0/s1.
What are the key properties of (4S)-4-methyltridecane?
(4S)-4-methyltridecane has a molecular weight of 198.39 g/mol, XLogP of 5.56, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyltridecane is sourced from PubChem (CID 24884428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).