CID 6330375

C14H31O2Pb — CID 6330375

IUPAC—
SMILESCC(=O)O.CC(C)C[Pb](CC(C)C)CC(C)C
InChIInChI=1S/3C4H9.C2H4O2.Pb/c3*1-4(2)3;1-2(3)4;/h3*4H,1H2,2-3H3;1H3,(H,3,4);
InChIKeySGYFTPOCQVPDQY-UHFFFAOYSA-N
MW438.60 g/mol
LogP4.54
Rot. Bonds6

About CID 6330375

CID 6330375 (PubChem CID 6330375) has the molecular formula C14H31O2Pb and a molecular weight of 438.60 g/mol.

Molecular Properties

Compound NameCID 6330375
PubChem CID6330375
Molecular FormulaC14H31O2Pb
Molecular Weight438.60 g/mol
Exact Mass439.21
IUPAC Name—
SMILESCC(=O)O.CC(C)C[Pb](CC(C)C)CC(C)C
InChIInChI=1S/3C4H9.C2H4O2.Pb/c3*1-4(2)3;1-2(3)4;/h3*4H,1H2,2-3H3;1H3,(H,3,4);
InChIKeySGYFTPOCQVPDQY-UHFFFAOYSA-N
XLogP4.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 6330375?
The IUPAC name of CID 6330375 (CID 6330375) is not available.
What is the SMILES notation for CID 6330375?
The canonical SMILES for CID 6330375 is CC(=O)O.CC(C)C[Pb](CC(C)C)CC(C)C.
What is the InChIKey of CID 6330375?
The InChIKey is SGYFTPOCQVPDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C2H4O2.Pb/c3*1-4(2)3;1-2(3)4;/h3*4H,1H2,2-3H3;1H3,(H,3,4);.
What are the key properties of CID 6330375?
CID 6330375 has a molecular weight of 438.60 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6330375 is sourced from PubChem (CID 6330375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).