CID 59094786

C9H18 — CID 59094786

IUPAC—
SMILES[CH]CCC(C)CCCC
InChIInChI=1S/C9H18/c1-4-6-8-9(3)7-5-2/h2,9H,4-8H2,1,3H3
InChIKeyPIFZQACIPSQFOV-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.30
Rot. Bonds5

About CID 59094786

CID 59094786 (PubChem CID 59094786) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol.

Molecular Properties

Compound NameCID 59094786
PubChem CID59094786
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name—
SMILES[CH]CCC(C)CCCC
InChIInChI=1S/C9H18/c1-4-6-8-9(3)7-5-2/h2,9H,4-8H2,1,3H3
InChIKeyPIFZQACIPSQFOV-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,9,17-trimethylhenicosane
CID 123913465
5,9-dimethyloctacosane
CID 86017569
5,9,13-trimethylnonatriacontane
CID 6430649
5,9,13,23-tetramethylnonatriacontane
CID 6430646
(5S,9R)-5,9-dimethylpentadecane
CID 12993532
6,10-dimethyloctadecane
CID 86144179
15,19-dimethylpentatriacontane
CID 521781
5,13,19-trimethylheptatriacontane
CID 172565409
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
5,23-dimethyltritriacontane
CID 71339926
5-methyloctatriacontane
CID 527416

Frequently Asked Questions

What is the IUPAC name of CID 59094786?
The IUPAC name of CID 59094786 (CID 59094786) is not available.
What is the SMILES notation for CID 59094786?
The canonical SMILES for CID 59094786 is [CH]CCC(C)CCCC.
What is the InChIKey of CID 59094786?
The InChIKey is PIFZQACIPSQFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-4-6-8-9(3)7-5-2/h2,9H,4-8H2,1,3H3.
What are the key properties of CID 59094786?
CID 59094786 has a molecular weight of 126.24 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59094786 is sourced from PubChem (CID 59094786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).