CID 159036901

C23H39LiOP — CID 159036901

IUPAC—
SMILESCCC(C)PC(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.[Li]
InChIInChI=1S/C23H39OP.Li/c1-12-15(2)25-20(24)19-17(22(6,7)8)13-16(21(3,4)5)14-18(19)23(9,10)11;/h13-15,25H,12H2,1-11H3;
InChIKeyJVOMRFCQBQWACZ-UHFFFAOYSA-N
MW369.48 g/mol
LogP6.82
Rot. Bonds4

About CID 159036901

CID 159036901 (PubChem CID 159036901) has the molecular formula C23H39LiOP and a molecular weight of 369.48 g/mol.

Molecular Properties

Compound NameCID 159036901
PubChem CID159036901
Molecular FormulaC23H39LiOP
Molecular Weight369.48 g/mol
Exact Mass369.29
IUPAC Name—
SMILESCCC(C)PC(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.[Li]
InChIInChI=1S/C23H39OP.Li/c1-12-15(2)25-20(24)19-17(22(6,7)8)13-16(21(3,4)5)14-18(19)23(9,10)11;/h13-15,25H,12H2,1-11H3;
InChIKeyJVOMRFCQBQWACZ-UHFFFAOYSA-N
XLogP6.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.48
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-chloro-1-(2,4,6-tritert-butylphenyl)phosphanylidenebutan-2-one
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propyl-(2,4,6-tritert-butylphenyl)phosphane
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3,5-ditert-butyl-2-hexadecylbenzoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 159036901?
The IUPAC name of CID 159036901 (CID 159036901) is not available.
What is the SMILES notation for CID 159036901?
The canonical SMILES for CID 159036901 is CCC(C)PC(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.[Li].
What is the InChIKey of CID 159036901?
The InChIKey is JVOMRFCQBQWACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39OP.Li/c1-12-15(2)25-20(24)19-17(22(6,7)8)13-16(21(3,4)5)14-18(19)23(9,10)11;/h13-15,25H,12H2,1-11H3;.
What are the key properties of CID 159036901?
CID 159036901 has a molecular weight of 369.48 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159036901 is sourced from PubChem (CID 159036901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).