CID 70358660

C19H30ClSn — CID 70358660

IUPAC—
SMILESCc1ccc([Sn](C2CCCCC2)C2CCCCC2)cc1.Cl
InChIInChI=1S/C7H7.2C6H11.ClH.Sn/c1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;;/h3-6H,1H3;2*1H,2-6H2;1H;
InChIKeyIPDNILMRWNEJNS-UHFFFAOYSA-N
MW412.61 g/mol
LogP5.79
Rot. Bonds3

About CID 70358660

CID 70358660 (PubChem CID 70358660) has the molecular formula C19H30ClSn and a molecular weight of 412.61 g/mol.

Molecular Properties

Compound NameCID 70358660
PubChem CID70358660
Molecular FormulaC19H30ClSn
Molecular Weight412.61 g/mol
Exact Mass413.11
IUPAC Name—
SMILESCc1ccc([Sn](C2CCCCC2)C2CCCCC2)cc1.Cl
InChIInChI=1S/C7H7.2C6H11.ClH.Sn/c1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;;/h3-6H,1H3;2*1H,2-6H2;1H;
InChIKeyIPDNILMRWNEJNS-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.61
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 91432939
cyclohexyl-cyclopropyl-formyl-(4-methylphenyl)azanium
CID 56979431
dicyclohexyl-bis[(4-methylphenyl)sulfanylmethyl]germane
CID 177193772
propan-2-ylcyclobutane;1,4-xylene
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tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
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Frequently Asked Questions

What is the IUPAC name of CID 70358660?
The IUPAC name of CID 70358660 (CID 70358660) is not available.
What is the SMILES notation for CID 70358660?
The canonical SMILES for CID 70358660 is Cc1ccc([Sn](C2CCCCC2)C2CCCCC2)cc1.Cl.
What is the InChIKey of CID 70358660?
The InChIKey is IPDNILMRWNEJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.2C6H11.ClH.Sn/c1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;;/h3-6H,1H3;2*1H,2-6H2;1H;.
What are the key properties of CID 70358660?
CID 70358660 has a molecular weight of 412.61 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70358660 is sourced from PubChem (CID 70358660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).