CID 173307482

C36H76ClSn — CID 173307482

IUPAC—
SMILESCCCCCCCCCCCC[Sn](CCCCCCCCCCCC)CCCCCCCCCCCC.Cl
InChIInChI=1S/3C12H25.ClH.Sn/c3*1-3-5-7-9-11-12-10-8-6-4-2;;/h3*1,3-12H2,2H3;1H;
InChIKeyIMOCKCSOYLLUGI-UHFFFAOYSA-N
MW663.17 g/mol
LogP14.67
Rot. Bonds33

About CID 173307482

CID 173307482 (PubChem CID 173307482) has the molecular formula C36H76ClSn and a molecular weight of 663.17 g/mol.

Molecular Properties

Compound NameCID 173307482
PubChem CID173307482
Molecular FormulaC36H76ClSn
Molecular Weight663.17 g/mol
Exact Mass663.47
IUPAC Name—
SMILESCCCCCCCCCCCC[Sn](CCCCCCCCCCCC)CCCCCCCCCCCC.Cl
InChIInChI=1S/3C12H25.ClH.Sn/c3*1-3-5-7-9-11-12-10-8-6-4-2;;/h3*1,3-12H2,2H3;1H;
InChIKeyIMOCKCSOYLLUGI-UHFFFAOYSA-N
XLogP14.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds33
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.17
LogP ≤ 514.67
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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CID 173415754
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bis(heptane);hydrochloride
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icosane;tetrahydrochloride
CID 143212018
pentacosane;hydrochloride
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CID 172821128
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CID 6337764
heptane;phosphane;trihydrochloride
CID 175501735
azane;tritriacontane;hydrochloride
CID 174841743
heptane;silane;trihydrochloride
CID 173470147
bis(octane);silane;dihydrochloride
CID 173470119
methane;octane;dihydrochloride
CID 174397937

Frequently Asked Questions

What is the IUPAC name of CID 173307482?
The IUPAC name of CID 173307482 (CID 173307482) is not available.
What is the SMILES notation for CID 173307482?
The canonical SMILES for CID 173307482 is CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)CCCCCCCCCCCC.Cl.
What is the InChIKey of CID 173307482?
The InChIKey is IMOCKCSOYLLUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H25.ClH.Sn/c3*1-3-5-7-9-11-12-10-8-6-4-2;;/h3*1,3-12H2,2H3;1H;.
What are the key properties of CID 173307482?
CID 173307482 has a molecular weight of 663.17 g/mol, XLogP of 14.67, 33 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173307482 is sourced from PubChem (CID 173307482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).