CID 160597109

C18H21LiOP — CID 160597109

IUPAC—
SMILESCCCCPC(=O)c1c(C)cccc1-c1ccccc1.[Li]
InChIInChI=1S/C18H21OP.Li/c1-3-4-13-20-18(19)17-14(2)9-8-12-16(17)15-10-6-5-7-11-15;/h5-12,20H,3-4,13H2,1-2H3;
InChIKeyRDTWEIHCPCNFQG-UHFFFAOYSA-N
MW291.28 g/mol
LogP4.90
Rot. Bonds6

About CID 160597109

CID 160597109 (PubChem CID 160597109) has the molecular formula C18H21LiOP and a molecular weight of 291.28 g/mol.

Molecular Properties

Compound NameCID 160597109
PubChem CID160597109
Molecular FormulaC18H21LiOP
Molecular Weight291.28 g/mol
Exact Mass291.15
IUPAC Name—
SMILESCCCCPC(=O)c1c(C)cccc1-c1ccccc1.[Li]
InChIInChI=1S/C18H21OP.Li/c1-3-4-13-20-18(19)17-14(2)9-8-12-16(17)15-10-6-5-7-11-15;/h5-12,20H,3-4,13H2,1-2H3;
InChIKeyRDTWEIHCPCNFQG-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium;ethylphosphanyl-(2-methyl-6-phenylphenyl)methanone;hydride
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ethyl 2-methyl-6-phenylbenzoate
CID 86249615
CID 159103638
CID 159103638
hexan-1-ol;3-phenylphthalic acid
CID 175451457
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
(2S)-2-[(2-methyl-6-phenylbenzoyl)amino]-4-sulfobutanoic acid
CID 89123732
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
lithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide
CID 141023057
(2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone
CID 70014310
lithium;hydride;1-(2-methyl-6-phenylphenyl)-2-phosphanylpropan-1-one
CID 174476920
CID 158168490
CID 158168490

Frequently Asked Questions

What is the IUPAC name of CID 160597109?
The IUPAC name of CID 160597109 (CID 160597109) is not available.
What is the SMILES notation for CID 160597109?
The canonical SMILES for CID 160597109 is CCCCPC(=O)c1c(C)cccc1-c1ccccc1.[Li].
What is the InChIKey of CID 160597109?
The InChIKey is RDTWEIHCPCNFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21OP.Li/c1-3-4-13-20-18(19)17-14(2)9-8-12-16(17)15-10-6-5-7-11-15;/h5-12,20H,3-4,13H2,1-2H3;.
What are the key properties of CID 160597109?
CID 160597109 has a molecular weight of 291.28 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160597109 is sourced from PubChem (CID 160597109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).