CID 160630043

C21H37OSn — CID 160630043

IUPAC—
SMILESCC(C)O[Sn].CCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C18H30.C3H7O.Sn/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;1-3(2)4;/h11,13-14,16-17H,2-10,12,15H2,1H3;3H,1-2H3;/q;-1;+1
InChIKeyRHUNVANICFXOCW-UHFFFAOYSA-N
MW424.24 g/mol
LogP6.64
Rot. Bonds12

About CID 160630043

CID 160630043 (PubChem CID 160630043) has the molecular formula C21H37OSn and a molecular weight of 424.24 g/mol.

Molecular Properties

Compound NameCID 160630043
PubChem CID160630043
Molecular FormulaC21H37OSn
Molecular Weight424.24 g/mol
Exact Mass425.19
IUPAC Name—
SMILESCC(C)O[Sn].CCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C18H30.C3H7O.Sn/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;1-3(2)4;/h11,13-14,16-17H,2-10,12,15H2,1H3;3H,1-2H3;/q;-1;+1
InChIKeyRHUNVANICFXOCW-UHFFFAOYSA-N
XLogP6.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.24
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 160630043?
The IUPAC name of CID 160630043 (CID 160630043) is not available.
What is the SMILES notation for CID 160630043?
The canonical SMILES for CID 160630043 is CC(C)O[Sn].CCCCCCCCCCCCc1ccccc1.
What is the InChIKey of CID 160630043?
The InChIKey is RHUNVANICFXOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30.C3H7O.Sn/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;1-3(2)4;/h11,13-14,16-17H,2-10,12,15H2,1H3;3H,1-2H3;/q;-1;+1.
What are the key properties of CID 160630043?
CID 160630043 has a molecular weight of 424.24 g/mol, XLogP of 6.64, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160630043 is sourced from PubChem (CID 160630043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).