CID 171375674

C23H47OSn- — CID 171375674

IUPAC—
SMILESCCCC.CCCC.CCCC.[O-]CC1CC2CC1C1CCCC21.[Sn]
InChIInChI=1S/C11H17O.3C4H10.Sn/c12-6-8-4-7-5-11(8)10-3-1-2-9(7)10;3*1-3-4-2;/h7-11H,1-6H2;3*3-4H2,1-2H3;/q-1;;;;
InChIKeyJCSUGEWBPHFGTP-UHFFFAOYSA-N
MW458.34 g/mol
LogP6.46
Rot. Bonds4

About CID 171375674

CID 171375674 (PubChem CID 171375674) has the molecular formula C23H47OSn- and a molecular weight of 458.34 g/mol.

Molecular Properties

Compound NameCID 171375674
PubChem CID171375674
Molecular FormulaC23H47OSn-
Molecular Weight458.34 g/mol
Exact Mass459.27
IUPAC Name—
SMILESCCCC.CCCC.CCCC.[O-]CC1CC2CC1C1CCCC21.[Sn]
InChIInChI=1S/C11H17O.3C4H10.Sn/c12-6-8-4-7-5-11(8)10-3-1-2-9(7)10;3*1-3-4-2;/h7-11H,1-6H2;3*3-4H2,1-2H3;/q-1;;;;
InChIKeyJCSUGEWBPHFGTP-UHFFFAOYSA-N
XLogP6.46
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.34
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 171375674?
The IUPAC name of CID 171375674 (CID 171375674) is not available.
What is the SMILES notation for CID 171375674?
The canonical SMILES for CID 171375674 is CCCC.CCCC.CCCC.[O-]CC1CC2CC1C1CCCC21.[Sn].
What is the InChIKey of CID 171375674?
The InChIKey is JCSUGEWBPHFGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O.3C4H10.Sn/c12-6-8-4-7-5-11(8)10-3-1-2-9(7)10;3*1-3-4-2;/h7-11H,1-6H2;3*3-4H2,1-2H3;/q-1;;;;.
What are the key properties of CID 171375674?
CID 171375674 has a molecular weight of 458.34 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171375674 is sourced from PubChem (CID 171375674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).