CID 164942891

C14H28 — CID 164942891

IUPAC—
SMILES[CH]CCCCCCCCCCC(C)C
InChIInChI=1S/C14H28/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h1,14H,4-13H2,2-3H3
InChIKeyUJAFLQWSZIOFST-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.25
Rot. Bonds10

About CID 164942891

CID 164942891 (PubChem CID 164942891) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol.

Molecular Properties

Compound NameCID 164942891
PubChem CID164942891
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name—
SMILES[CH]CCCCCCCCCCC(C)C
InChIInChI=1S/C14H28/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h1,14H,4-13H2,2-3H3
InChIKeyUJAFLQWSZIOFST-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.25
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

2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
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CID 134324173
18-methylnonadecan-1-amine;hydrochloride
CID 173047380
bis(6-methylheptyltin(3+));trisulfide
CID 173414531
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
22-methyltricosylphosphanium bromide
CID 87821946
2,34-dimethylpentatriacontan-18-amine
CID 141007495
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
2-methylpentaoctacontane
CID 90745672
2-methyloctacosane
CID 519147

Frequently Asked Questions

What is the IUPAC name of CID 164942891?
The IUPAC name of CID 164942891 (CID 164942891) is not available.
What is the SMILES notation for CID 164942891?
The canonical SMILES for CID 164942891 is [CH]CCCCCCCCCCC(C)C.
What is the InChIKey of CID 164942891?
The InChIKey is UJAFLQWSZIOFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h1,14H,4-13H2,2-3H3.
What are the key properties of CID 164942891?
CID 164942891 has a molecular weight of 196.38 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164942891 is sourced from PubChem (CID 164942891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).