1-[4-[methyl(methylsulfanyl)phosphoryl]oxycyclohexyl]ethanone

C10H19O3PS — CID 142545296

IUPAC1-[4-[methyl(methylsulfanyl)phosphoryl]oxycyclohexyl]ethanone
SMILESCSP(C)(=O)OC1CCC(C(C)=O)CC1
InChIInChI=1S/C10H19O3PS/c1-8(11)9-4-6-10(7-5-9)13-14(2,12)15-3/h9-10H,4-7H2,1-3H3
InChIKeyYKUWSUYPRDBBAL-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.34
Rot. Bonds4

About 1-[4-[methyl(methylsulfanyl)phosphoryl]oxycyclohexyl]ethanone

1-[4-[methyl(methylsulfanyl)phosphoryl]oxycyclohexyl]ethanone (PubChem CID 142545296) has the molecular formula C10H19O3PS and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[4-[methyl(methylsulfanyl)phosphoryl]oxycyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-[methyl(methylsulfanyl)phosphoryl]oxycyclohexyl]ethanone
PubChem CID142545296
Molecular FormulaC10H19O3PS
Molecular Weight250.30 g/mol
Exact Mass250.08
IUPAC Name1-[4-[methyl(methylsulfanyl)phosphoryl]oxycyclohexyl]ethanone
SMILESCSP(C)(=O)OC1CCC(C(C)=O)CC1
InChIInChI=1S/C10H19O3PS/c1-8(11)9-4-6-10(7-5-9)13-14(2,12)15-3/h9-10H,4-7H2,1-3H3
InChIKeyYKUWSUYPRDBBAL-UHFFFAOYSA-N
XLogP3.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.34
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

1-(4-methylsulfanylcyclohexyl)ethanone
CID 134374203
1-(4-bromocyclohexyl)ethanone
CID 118688836
1-(3-methoxycyclopentyl)ethanone
CID 140959253
cyclopropyloxy(2-oxopropanoyl)phosphinic acid
CID 87671920
4-acetylcyclohexane-1-carbonyl chloride
CID 118944130
1-(4-but-2-ynoxycyclohexyl)ethanone
CID 90903033
1-(4-aminocyclohexyl)ethanone;hydrochloride
CID 66728623
1-[3-(trifluoromethoxy)cyclopentyl]ethanone
CID 138517575
1-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]cyclohexyl]ethanone
CID 142431051
(4-fluorocyclohexyl)oxy-methylphosphinic acid
CID 175013206
ethane;1-(4-propan-2-ylcyclohexyl)ethanone
CID 144871245
1-(4-acetylcyclohexyl)-3-methylurea
CID 58664366

Frequently Asked Questions

What is the IUPAC name of 1-[4-[methyl(methylsulfanyl)phosphoryl]oxycyclohexyl]ethanone?
The IUPAC name of 1-[4-[methyl(methylsulfanyl)phosphoryl]oxycyclohexyl]ethanone (CID 142545296) is 1-[4-[methyl(methylsulfanyl)phosphoryl]oxycyclohexyl]ethanone.
What is the SMILES notation for 1-[4-[methyl(methylsulfanyl)phosphoryl]oxycyclohexyl]ethanone?
The canonical SMILES for 1-[4-[methyl(methylsulfanyl)phosphoryl]oxycyclohexyl]ethanone is CSP(C)(=O)OC1CCC(C(C)=O)CC1.
What is the InChIKey of 1-[4-[methyl(methylsulfanyl)phosphoryl]oxycyclohexyl]ethanone?
The InChIKey is YKUWSUYPRDBBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O3PS/c1-8(11)9-4-6-10(7-5-9)13-14(2,12)15-3/h9-10H,4-7H2,1-3H3.
What are the key properties of 1-[4-[methyl(methylsulfanyl)phosphoryl]oxycyclohexyl]ethanone?
1-[4-[methyl(methylsulfanyl)phosphoryl]oxycyclohexyl]ethanone has a molecular weight of 250.30 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methyl(methylsulfanyl)phosphoryl]oxycyclohexyl]ethanone is sourced from PubChem (CID 142545296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).