1-(5-ethyl-2,2,2-trimethoxy-4-methyl-1,3,2λ5-dioxaphospholan-4-yl)ethanone

C10H21O6P — CID 23280229

IUPAC1-(5-ethyl-2,2,2-trimethoxy-4-methyl-1,3,2λ5-dioxaphospholan-4-yl)ethanone
SMILESCCC1OP(OC)(OC)(OC)OC1(C)C(C)=O
InChIInChI=1S/C10H21O6P/c1-7-9-10(3,8(2)11)16-17(12-4,13-5,14-6)15-9/h9H,7H2,1-6H3
InChIKeyUYMUDEPJYQNSFL-UHFFFAOYSA-N
MW268.25 g/mol
LogP2.23
Rot. Bonds5

About 1-(5-ethyl-2,2,2-trimethoxy-4-methyl-1,3,2λ5-dioxaphospholan-4-yl)ethanone

1-(5-ethyl-2,2,2-trimethoxy-4-methyl-1,3,2λ5-dioxaphospholan-4-yl)ethanone (PubChem CID 23280229) has the molecular formula C10H21O6P and a molecular weight of 268.25 g/mol. Its IUPAC name is 1-(5-ethyl-2,2,2-trimethoxy-4-methyl-1,3,2λ5-dioxaphospholan-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-2,2,2-trimethoxy-4-methyl-1,3,2λ5-dioxaphospholan-4-yl)ethanone
PubChem CID23280229
Molecular FormulaC10H21O6P
Molecular Weight268.25 g/mol
Exact Mass268.11
IUPAC Name1-(5-ethyl-2,2,2-trimethoxy-4-methyl-1,3,2λ5-dioxaphospholan-4-yl)ethanone
SMILESCCC1OP(OC)(OC)(OC)OC1(C)C(C)=O
InChIInChI=1S/C10H21O6P/c1-7-9-10(3,8(2)11)16-17(12-4,13-5,14-6)15-9/h9H,7H2,1-6H3
InChIKeyUYMUDEPJYQNSFL-UHFFFAOYSA-N
XLogP2.23
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2,2-trimethoxy-4-methyl-5-methylidene-1,3,2λ5-dioxaphospholan-4-yl)ethanone
CID 23418075
1-(4,4-dimethoxy-2,3-dimethyloxetan-2-yl)ethanone
CID 12838818
(2-ethyl-5-methoxy-3,5-dimethyloxolan-3-yl) 2-methylprop-2-enoate
CID 130346273
diethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate
CID 14972311
[(4R,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl acetate
CID 11052681
(3R)-3-ethyl-2,2-dimethyloxirane
CID 12568504
1-[(4R,5S)-2-ethyl-4,5-dimethyl-4H-1,3-oxazol-5-yl]ethanone
CID 45086494
1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone
CID 89117681
[(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate
CID 126585094
1-[1-[(E)-but-1-enyl]cyclopropyl]ethanone
CID 22042468
dimethyl (2S,5R)-2-ethyl-5-methyloxane-3,3-dicarboxylate
CID 101361855
(2,3-diethyloxiran-2-yl) 3-methylpent-2-enoate
CID 174648994

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2,2,2-trimethoxy-4-methyl-1,3,2λ5-dioxaphospholan-4-yl)ethanone?
The IUPAC name of 1-(5-ethyl-2,2,2-trimethoxy-4-methyl-1,3,2λ5-dioxaphospholan-4-yl)ethanone (CID 23280229) is 1-(5-ethyl-2,2,2-trimethoxy-4-methyl-1,3,2λ5-dioxaphospholan-4-yl)ethanone.
What is the SMILES notation for 1-(5-ethyl-2,2,2-trimethoxy-4-methyl-1,3,2λ5-dioxaphospholan-4-yl)ethanone?
The canonical SMILES for 1-(5-ethyl-2,2,2-trimethoxy-4-methyl-1,3,2λ5-dioxaphospholan-4-yl)ethanone is CCC1OP(OC)(OC)(OC)OC1(C)C(C)=O.
What is the InChIKey of 1-(5-ethyl-2,2,2-trimethoxy-4-methyl-1,3,2λ5-dioxaphospholan-4-yl)ethanone?
The InChIKey is UYMUDEPJYQNSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O6P/c1-7-9-10(3,8(2)11)16-17(12-4,13-5,14-6)15-9/h9H,7H2,1-6H3.
What are the key properties of 1-(5-ethyl-2,2,2-trimethoxy-4-methyl-1,3,2λ5-dioxaphospholan-4-yl)ethanone?
1-(5-ethyl-2,2,2-trimethoxy-4-methyl-1,3,2λ5-dioxaphospholan-4-yl)ethanone has a molecular weight of 268.25 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2,2,2-trimethoxy-4-methyl-1,3,2λ5-dioxaphospholan-4-yl)ethanone is sourced from PubChem (CID 23280229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).