CID 16696947

C16H38P3Sb — CID 16696947

IUPAC—
SMILESCC(C)(C)PP(PC(C)(C)C)C(C)(C)C.CC(C)(C)[Sb]
InChIInChI=1S/C12H29P3.C4H9.Sb/c1-10(2,3)13-15(12(7,8)9)14-11(4,5)6;1-4(2)3;/h13-14H,1-9H3;1-3H3;
InChIKeyYZZIUUCKWAYLJL-UHFFFAOYSA-N
MW445.16 g/mol
LogP7.42
Rot. Bonds2

About CID 16696947

CID 16696947 (PubChem CID 16696947) has the molecular formula C16H38P3Sb and a molecular weight of 445.16 g/mol.

Molecular Properties

Compound NameCID 16696947
PubChem CID16696947
Molecular FormulaC16H38P3Sb
Molecular Weight445.16 g/mol
Exact Mass444.12
IUPAC Name—
SMILESCC(C)(C)PP(PC(C)(C)C)C(C)(C)C.CC(C)(C)[Sb]
InChIInChI=1S/C12H29P3.C4H9.Sb/c1-10(2,3)13-15(12(7,8)9)14-11(4,5)6;1-4(2)3;/h13-14H,1-9H3;1-3H3;
InChIKeyYZZIUUCKWAYLJL-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.16
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 16696947?
The IUPAC name of CID 16696947 (CID 16696947) is not available.
What is the SMILES notation for CID 16696947?
The canonical SMILES for CID 16696947 is CC(C)(C)PP(PC(C)(C)C)C(C)(C)C.CC(C)(C)[Sb].
What is the InChIKey of CID 16696947?
The InChIKey is YZZIUUCKWAYLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29P3.C4H9.Sb/c1-10(2,3)13-15(12(7,8)9)14-11(4,5)6;1-4(2)3;/h13-14H,1-9H3;1-3H3;.
What are the key properties of CID 16696947?
CID 16696947 has a molecular weight of 445.16 g/mol, XLogP of 7.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16696947 is sourced from PubChem (CID 16696947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).