CID 170852910

C24H52ClSn — CID 170852910

IUPAC—
SMILESCl.[CH2]CCCCCCC.[CH2]CCCCCCC.[CH2]CCCCCCC.[Sn]
InChIInChI=1S/3C8H17.ClH.Sn/c3*1-3-5-7-8-6-4-2;;/h3*1,3-8H2,2H3;1H;
InChIKeyYMOMQSWELHONFB-UHFFFAOYSA-N
MW494.84 g/mol
LogP9.58
Rot. Bonds15

About CID 170852910

CID 170852910 (PubChem CID 170852910) has the molecular formula C24H52ClSn and a molecular weight of 494.84 g/mol.

Molecular Properties

Compound NameCID 170852910
PubChem CID170852910
Molecular FormulaC24H52ClSn
Molecular Weight494.84 g/mol
Exact Mass495.28
IUPAC Name—
SMILESCl.[CH2]CCCCCCC.[CH2]CCCCCCC.[CH2]CCCCCCC.[Sn]
InChIInChI=1S/3C8H17.ClH.Sn/c3*1-3-5-7-8-6-4-2;;/h3*1,3-8H2,2H3;1H;
InChIKeyYMOMQSWELHONFB-UHFFFAOYSA-N
XLogP9.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.84
LogP ≤ 59.58
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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Frequently Asked Questions

What is the IUPAC name of CID 170852910?
The IUPAC name of CID 170852910 (CID 170852910) is not available.
What is the SMILES notation for CID 170852910?
The canonical SMILES for CID 170852910 is Cl.[CH2]CCCCCCC.[CH2]CCCCCCC.[CH2]CCCCCCC.[Sn].
What is the InChIKey of CID 170852910?
The InChIKey is YMOMQSWELHONFB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H17.ClH.Sn/c3*1-3-5-7-8-6-4-2;;/h3*1,3-8H2,2H3;1H;.
What are the key properties of CID 170852910?
CID 170852910 has a molecular weight of 494.84 g/mol, XLogP of 9.58, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170852910 is sourced from PubChem (CID 170852910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).