CID 11297590

C54H99InP3 — CID 11297590

IUPAC—
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.[In]
InChIInChI=1S/3C18H33P.In/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h3*16-18H,1-15H2;
InChIKeyXERFBUBENDPIFC-UHFFFAOYSA-N
MW956.13 g/mol
LogP19.02
Rot. Bonds9

About CID 11297590

CID 11297590 (PubChem CID 11297590) has the molecular formula C54H99InP3 and a molecular weight of 956.13 g/mol.

Molecular Properties

Compound NameCID 11297590
PubChem CID11297590
Molecular FormulaC54H99InP3
Molecular Weight956.13 g/mol
Exact Mass955.60
IUPAC Name—
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.[In]
InChIInChI=1S/3C18H33P.In/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h3*16-18H,1-15H2;
InChIKeyXERFBUBENDPIFC-UHFFFAOYSA-N
XLogP19.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.13
LogP ≤ 519.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11297590?
The IUPAC name of CID 11297590 (CID 11297590) is not available.
What is the SMILES notation for CID 11297590?
The canonical SMILES for CID 11297590 is C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.[In].
What is the InChIKey of CID 11297590?
The InChIKey is XERFBUBENDPIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H33P.In/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h3*16-18H,1-15H2;.
What are the key properties of CID 11297590?
CID 11297590 has a molecular weight of 956.13 g/mol, XLogP of 19.02, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11297590 is sourced from PubChem (CID 11297590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).