CID 154676718

C12H20NOSn — CID 154676718

IUPAC—
SMILESC=CCCOCCC(=C)NCCC(=C)[Sn]
InChIInChI=1S/C12H20NO.Sn/c1-4-6-9-13-12(3)8-11-14-10-7-5-2;/h5,13H,1-3,6-11H2;
InChIKeyVQRRFTJQCICRSN-UHFFFAOYSA-N
MW313.01 g/mol
LogP2.14
Rot. Bonds10

About CID 154676718

CID 154676718 (PubChem CID 154676718) has the molecular formula C12H20NOSn and a molecular weight of 313.01 g/mol.

Molecular Properties

Compound NameCID 154676718
PubChem CID154676718
Molecular FormulaC12H20NOSn
Molecular Weight313.01 g/mol
Exact Mass314.06
IUPAC Name—
SMILESC=CCCOCCC(=C)NCCC(=C)[Sn]
InChIInChI=1S/C12H20NO.Sn/c1-4-6-9-13-12(3)8-11-14-10-7-5-2;/h5,13H,1-3,6-11H2;
InChIKeyVQRRFTJQCICRSN-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.01
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 154676718?
The IUPAC name of CID 154676718 (CID 154676718) is not available.
What is the SMILES notation for CID 154676718?
The canonical SMILES for CID 154676718 is C=CCCOCCC(=C)NCCC(=C)[Sn].
What is the InChIKey of CID 154676718?
The InChIKey is VQRRFTJQCICRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO.Sn/c1-4-6-9-13-12(3)8-11-14-10-7-5-2;/h5,13H,1-3,6-11H2;.
What are the key properties of CID 154676718?
CID 154676718 has a molecular weight of 313.01 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154676718 is sourced from PubChem (CID 154676718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).