CID 173038045

C19H31Sn — CID 173038045

IUPAC—
SMILESCCCCc1ccccc1C([Sn])(CCCC)CCCC
InChIInChI=1S/C19H31.Sn/c1-4-7-12-17(13-8-5-2)19-16-11-10-15-18(19)14-9-6-3;/h10-11,15-16H,4-9,12-14H2,1-3H3;
InChIKeyOERJLSYDUXUZCZ-UHFFFAOYSA-N
MW378.17 g/mol
LogP5.77
Rot. Bonds10

About CID 173038045

CID 173038045 (PubChem CID 173038045) has the molecular formula C19H31Sn and a molecular weight of 378.17 g/mol.

Molecular Properties

Compound NameCID 173038045
PubChem CID173038045
Molecular FormulaC19H31Sn
Molecular Weight378.17 g/mol
Exact Mass379.14
IUPAC Name—
SMILESCCCCc1ccccc1C([Sn])(CCCC)CCCC
InChIInChI=1S/C19H31.Sn/c1-4-7-12-17(13-8-5-2)19-16-11-10-15-18(19)14-9-6-3;/h10-11,15-16H,4-9,12-14H2,1-3H3;
InChIKeyOERJLSYDUXUZCZ-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.17
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 173038045?
The IUPAC name of CID 173038045 (CID 173038045) is not available.
What is the SMILES notation for CID 173038045?
The canonical SMILES for CID 173038045 is CCCCc1ccccc1C([Sn])(CCCC)CCCC.
What is the InChIKey of CID 173038045?
The InChIKey is OERJLSYDUXUZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31.Sn/c1-4-7-12-17(13-8-5-2)19-16-11-10-15-18(19)14-9-6-3;/h10-11,15-16H,4-9,12-14H2,1-3H3;.
What are the key properties of CID 173038045?
CID 173038045 has a molecular weight of 378.17 g/mol, XLogP of 5.77, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173038045 is sourced from PubChem (CID 173038045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).