CID 171374623

C17H34O2Sn — CID 171374623

IUPAC—
SMILESCCCC.CCCC.CCCC.O=Cc1ccco1.[Sn]
InChIInChI=1S/C5H4O2.3C4H10.Sn/c6-4-5-2-1-3-7-5;3*1-3-4-2;/h1-4H;3*3-4H2,1-2H3;
InChIKeyBRRYKIQMMRFJSM-UHFFFAOYSA-N
MW389.17 g/mol
LogP6.13
Rot. Bonds4

About CID 171374623

CID 171374623 (PubChem CID 171374623) has the molecular formula C17H34O2Sn and a molecular weight of 389.17 g/mol.

Molecular Properties

Compound NameCID 171374623
PubChem CID171374623
Molecular FormulaC17H34O2Sn
Molecular Weight389.17 g/mol
Exact Mass390.16
IUPAC Name—
SMILESCCCC.CCCC.CCCC.O=Cc1ccco1.[Sn]
InChIInChI=1S/C5H4O2.3C4H10.Sn/c6-4-5-2-1-3-7-5;3*1-3-4-2;/h1-4H;3*3-4H2,1-2H3;
InChIKeyBRRYKIQMMRFJSM-UHFFFAOYSA-N
XLogP6.13
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.17
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 171374623?
The IUPAC name of CID 171374623 (CID 171374623) is not available.
What is the SMILES notation for CID 171374623?
The canonical SMILES for CID 171374623 is CCCC.CCCC.CCCC.O=Cc1ccco1.[Sn].
What is the InChIKey of CID 171374623?
The InChIKey is BRRYKIQMMRFJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2.3C4H10.Sn/c6-4-5-2-1-3-7-5;3*1-3-4-2;/h1-4H;3*3-4H2,1-2H3;.
What are the key properties of CID 171374623?
CID 171374623 has a molecular weight of 389.17 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171374623 is sourced from PubChem (CID 171374623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).