CID 11858839

C27H47P2 — CID 11858839

IUPAC—
SMILESC[C@H](C1=C(P(C2CCCCC2)C2CCCCC2)C=C[CH]1)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C27H47P2/c1-21(29(26(2,3)4)27(5,6)7)24-19-14-20-25(24)28(22-15-10-8-11-16-22)23-17-12-9-13-18-23/h14,19-23H,8-13,15-18H2,1-7H3/t21-/m1/s1
InChIKeyDBQFVTUUCFCJBO-OAQYLSRUSA-N
MW433.62 g/mol
LogP9.63
Rot. Bonds5

About CID 11858839

CID 11858839 (PubChem CID 11858839) has the molecular formula C27H47P2 and a molecular weight of 433.62 g/mol.

Molecular Properties

Compound NameCID 11858839
PubChem CID11858839
Molecular FormulaC27H47P2
Molecular Weight433.62 g/mol
Exact Mass433.32
IUPAC Name—
SMILESC[C@H](C1=C(P(C2CCCCC2)C2CCCCC2)C=C[CH]1)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C27H47P2/c1-21(29(26(2,3)4)27(5,6)7)24-19-14-20-25(24)28(22-15-10-8-11-16-22)23-17-12-9-13-18-23/h14,19-23H,8-13,15-18H2,1-7H3/t21-/m1/s1
InChIKeyDBQFVTUUCFCJBO-OAQYLSRUSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.62
LogP ≤ 59.63
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 11858839?
The IUPAC name of CID 11858839 (CID 11858839) is not available.
What is the SMILES notation for CID 11858839?
The canonical SMILES for CID 11858839 is C[C@H](C1=C(P(C2CCCCC2)C2CCCCC2)C=C[CH]1)P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of CID 11858839?
The InChIKey is DBQFVTUUCFCJBO-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H47P2/c1-21(29(26(2,3)4)27(5,6)7)24-19-14-20-25(24)28(22-15-10-8-11-16-22)23-17-12-9-13-18-23/h14,19-23H,8-13,15-18H2,1-7H3/t21-/m1/s1.
What are the key properties of CID 11858839?
CID 11858839 has a molecular weight of 433.62 g/mol, XLogP of 9.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11858839 is sourced from PubChem (CID 11858839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).