butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium

C19H28O2P+ — CID 173194836

IUPACbutan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium
SMILESCCC(C)[P+](=O)C1(C(=O)c2c(C)cc(C)cc2C)CCCC1
InChIInChI=1S/C19H28O2P/c1-6-16(5)22(21)19(9-7-8-10-19)18(20)17-14(3)11-13(2)12-15(17)4/h11-12,16H,6-10H2,1-5H3/q+1
InChIKeyMDNHLPYRWFDMOV-UHFFFAOYSA-N
MW319.41 g/mol
LogP5.73
Rot. Bonds5

About butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium

butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium (PubChem CID 173194836) has the molecular formula C19H28O2P+ and a molecular weight of 319.41 g/mol. Its IUPAC name is butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium.

Molecular Properties

Compound Namebutan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium
PubChem CID173194836
Molecular FormulaC19H28O2P+
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Namebutan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium
SMILESCCC(C)[P+](=O)C1(C(=O)c2c(C)cc(C)cc2C)CCCC1
InChIInChI=1S/C19H28O2P/c1-6-16(5)22(21)19(9-7-8-10-19)18(20)17-14(3)11-13(2)12-15(17)4/h11-12,16H,6-10H2,1-5H3/q+1
InChIKeyMDNHLPYRWFDMOV-UHFFFAOYSA-N
XLogP5.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.41
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]phosphanium
CID 173194990
2-methylpropyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium
CID 173194882
butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium
CID 173194976
hexyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium
CID 174400594
3-methyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]butanoic acid
CID 158555018
2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
CID 43159904
oxophosphane;2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]heptanoic acid
CID 174387002
2,4-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]pentanoic acid;oxophosphanium
CID 158341965
4-ethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]octanoic acid;oxophosphane
CID 174386724
(1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681952
2,5-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]hexanoic acid;oxophosphanium
CID 159044686
3,3-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]butanoic acid;oxophosphane
CID 174400566

Frequently Asked Questions

What is the IUPAC name of butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium?
The IUPAC name of butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium (CID 173194836) is butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium.
What is the SMILES notation for butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium?
The canonical SMILES for butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium is CCC(C)[P+](=O)C1(C(=O)c2c(C)cc(C)cc2C)CCCC1.
What is the InChIKey of butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium?
The InChIKey is MDNHLPYRWFDMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2P/c1-6-16(5)22(21)19(9-7-8-10-19)18(20)17-14(3)11-13(2)12-15(17)4/h11-12,16H,6-10H2,1-5H3/q+1.
What are the key properties of butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium?
butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium has a molecular weight of 319.41 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium is sourced from PubChem (CID 173194836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).