CID 160640482

C20H40OPb — CID 160640482

IUPAC—
SMILESC/C(=C\CO)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.[Pb]
InChIInChI=1S/C20H40O.Pb/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21;/h15,17-19,21H,6-14,16H2,1-5H3;/b20-15+;/t18-,19-;/m1./s1
InChIKeyRJCLWRLIPMECTC-IZKFDIQUSA-N
MW503.74 g/mol
LogP5.98
Rot. Bonds13

About CID 160640482

CID 160640482 (PubChem CID 160640482) has the molecular formula C20H40OPb and a molecular weight of 503.74 g/mol.

Molecular Properties

Compound NameCID 160640482
PubChem CID160640482
Molecular FormulaC20H40OPb
Molecular Weight503.74 g/mol
Exact Mass504.28
IUPAC Name—
SMILESC/C(=C\CO)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.[Pb]
InChIInChI=1S/C20H40O.Pb/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21;/h15,17-19,21H,6-14,16H2,1-5H3;/b20-15+;/t18-,19-;/m1./s1
InChIKeyRJCLWRLIPMECTC-IZKFDIQUSA-N
XLogP5.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.74
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(E,7R,11R)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
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CID 25254254
(E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol
CID 25254401
(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol
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Frequently Asked Questions

What is the IUPAC name of CID 160640482?
The IUPAC name of CID 160640482 (CID 160640482) is not available.
What is the SMILES notation for CID 160640482?
The canonical SMILES for CID 160640482 is C/C(=C\CO)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.[Pb].
What is the InChIKey of CID 160640482?
The InChIKey is RJCLWRLIPMECTC-IZKFDIQUSA-N. The full InChI is InChI=1S/C20H40O.Pb/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21;/h15,17-19,21H,6-14,16H2,1-5H3;/b20-15+;/t18-,19-;/m1./s1.
What are the key properties of CID 160640482?
CID 160640482 has a molecular weight of 503.74 g/mol, XLogP of 5.98, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160640482 is sourced from PubChem (CID 160640482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).