CID 59957588

C15H22 — CID 59957588

IUPAC—
SMILES[CH]c1ccc(CCCCCCCC)cc1
InChIInChI=1S/C15H22/c1-3-4-5-6-7-8-9-15-12-10-14(2)11-13-15/h2,10-13H,3-9H2,1H3
InChIKeyFACSJRGWAHZZAN-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.65
Rot. Bonds7

About CID 59957588

CID 59957588 (PubChem CID 59957588) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol.

Molecular Properties

Compound NameCID 59957588
PubChem CID59957588
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name—
SMILES[CH]c1ccc(CCCCCCCC)cc1
InChIInChI=1S/C15H22/c1-3-4-5-6-7-8-9-15-12-10-14(2)11-13-15/h2,10-13H,3-9H2,1H3
InChIKeyFACSJRGWAHZZAN-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.65
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

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1-methyl-4-octylbenzene
CID 11052746
(4-undecylphenyl)methanethiol
CID 152658546
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-iodo-4-octadecylbenzene
CID 141122271
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
bis(4-hexylphenyl)tin
CID 177496129
4-dodecylaniline;nonadecane
CID 155059812
(4-heptylphenyl)borane
CID 123446258

Frequently Asked Questions

What is the IUPAC name of CID 59957588?
The IUPAC name of CID 59957588 (CID 59957588) is not available.
What is the SMILES notation for CID 59957588?
The canonical SMILES for CID 59957588 is [CH]c1ccc(CCCCCCCC)cc1.
What is the InChIKey of CID 59957588?
The InChIKey is FACSJRGWAHZZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-3-4-5-6-7-8-9-15-12-10-14(2)11-13-15/h2,10-13H,3-9H2,1H3.
What are the key properties of CID 59957588?
CID 59957588 has a molecular weight of 202.34 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59957588 is sourced from PubChem (CID 59957588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).