butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium

C18H26O4P+ — CID 173194976

IUPACbutan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium
SMILESCCC(C)[P+](=O)C1(C(=O)c2c(OC)cccc2OC)CCCC1
InChIInChI=1S/C18H26O4P/c1-5-13(2)23(20)18(11-6-7-12-18)17(19)16-14(21-3)9-8-10-15(16)22-4/h8-10,13H,5-7,11-12H2,1-4H3/q+1
InChIKeyBMHRFMLWRWJFGS-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.83
Rot. Bonds7

About butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium

butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium (PubChem CID 173194976) has the molecular formula C18H26O4P+ and a molecular weight of 337.38 g/mol. Its IUPAC name is butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium.

Molecular Properties

Compound Namebutan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium
PubChem CID173194976
Molecular FormulaC18H26O4P+
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Namebutan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium
SMILESCCC(C)[P+](=O)C1(C(=O)c2c(OC)cccc2OC)CCCC1
InChIInChI=1S/C18H26O4P/c1-5-13(2)23(20)18(11-6-7-12-18)17(19)16-14(21-3)9-8-10-15(16)22-4/h8-10,13H,5-7,11-12H2,1-4H3/q+1
InChIKeyBMHRFMLWRWJFGS-UHFFFAOYSA-N
XLogP4.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
(2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone
CID 115813399
[1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium
CID 173194926
[1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium
CID 173195007
(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116810109
[1-[2,6-bis(trifluoromethyl)benzoyl]cyclopentyl]-(2,6-dimethoxybenzoyl)-oxophosphanium
CID 173194985
(2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium
CID 173194952
(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
CID 116811529
(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116810111
(2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium
CID 141294397
2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone
CID 116811535
butan-2-yl 2,6-dimethoxybenzenecarboperoxoate
CID 173266233

Frequently Asked Questions

What is the IUPAC name of butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium?
The IUPAC name of butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium (CID 173194976) is butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium.
What is the SMILES notation for butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium?
The canonical SMILES for butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium is CCC(C)[P+](=O)C1(C(=O)c2c(OC)cccc2OC)CCCC1.
What is the InChIKey of butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium?
The InChIKey is BMHRFMLWRWJFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4P/c1-5-13(2)23(20)18(11-6-7-12-18)17(19)16-14(21-3)9-8-10-15(16)22-4/h8-10,13H,5-7,11-12H2,1-4H3/q+1.
What are the key properties of butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium?
butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium has a molecular weight of 337.38 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium is sourced from PubChem (CID 173194976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).