(4R)-4-[(1S)-1-methoxyethyl]-3,3-dimethyloxetan-2-one

C8H14O3 — CID 10487150

IUPAC(4R)-4-[(1S)-1-methoxyethyl]-3,3-dimethyloxetan-2-one
SMILESCO[C@@H](C)[C@@H]1OC(=O)C1(C)C
InChIInChI=1S/C8H14O3/c1-5(10-4)6-8(2,3)7(9)11-6/h5-6H,1-4H3/t5-,6-/m0/s1
InChIKeyKYNNLQDKMCTMEX-WDSKDSINSA-N
MW158.20 g/mol
LogP0.97
Rot. Bonds2

About (4R)-4-[(1S)-1-methoxyethyl]-3,3-dimethyloxetan-2-one

(4R)-4-[(1S)-1-methoxyethyl]-3,3-dimethyloxetan-2-one (PubChem CID 10487150) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-methoxyethyl]-3,3-dimethyloxetan-2-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-methoxyethyl]-3,3-dimethyloxetan-2-one
PubChem CID10487150
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(4R)-4-[(1S)-1-methoxyethyl]-3,3-dimethyloxetan-2-one
SMILESCO[C@@H](C)[C@@H]1OC(=O)C1(C)C
InChIInChI=1S/C8H14O3/c1-5(10-4)6-8(2,3)7(9)11-6/h5-6H,1-4H3/t5-,6-/m0/s1
InChIKeyKYNNLQDKMCTMEX-WDSKDSINSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-3,3-dimethyl-4-[(1S)-2-methyl-1-phenylmethoxypropyl]oxetan-2-one
CID 122395053
4-(2,3-dihydroxybutan-2-yl)-3,3-dimethyloxetan-2-one
CID 129073905
(2S)-3,3-dimethyl-4-oxooxetane-2-carboxylic acid
CID 95003089
(4R,5S)-4-fluoro-5-(iodomethyl)-3,3-dimethyloxolan-2-one
CID 101459127
3-butan-2-yl-3-methyl-4-oxooxetane-2-carboxylic acid
CID 130144805
4-hydroxy-2-(1-methoxyethyl)-2,3-dihydropyran-6-one
CID 58361815
4-(2-methoxypropyl)-3-methyloxetan-2-one
CID 21337451
5,5,11,11-tetramethyl-3,9-dioxatricyclo[6.3.0.02,6]undecane-4,10-dione
CID 170152284
(4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-3,3-dichlorooxetan-2-one
CID 134874257
6-(1-methoxyethyl)morpholin-3-one
CID 131048129
5-(1-iodoethyl)-4,4-dimethyloxolan-2-one
CID 71405328
4-(1-methoxyethyl)-8-oxa-1-azaspiro[4.5]decan-2-one
CID 165462680

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1-methoxyethyl]-3,3-dimethyloxetan-2-one?
The IUPAC name of (4R)-4-[(1S)-1-methoxyethyl]-3,3-dimethyloxetan-2-one (CID 10487150) is (4R)-4-[(1S)-1-methoxyethyl]-3,3-dimethyloxetan-2-one.
What is the SMILES notation for (4R)-4-[(1S)-1-methoxyethyl]-3,3-dimethyloxetan-2-one?
The canonical SMILES for (4R)-4-[(1S)-1-methoxyethyl]-3,3-dimethyloxetan-2-one is CO[C@@H](C)[C@@H]1OC(=O)C1(C)C.
What is the InChIKey of (4R)-4-[(1S)-1-methoxyethyl]-3,3-dimethyloxetan-2-one?
The InChIKey is KYNNLQDKMCTMEX-WDSKDSINSA-N. The full InChI is InChI=1S/C8H14O3/c1-5(10-4)6-8(2,3)7(9)11-6/h5-6H,1-4H3/t5-,6-/m0/s1.
What are the key properties of (4R)-4-[(1S)-1-methoxyethyl]-3,3-dimethyloxetan-2-one?
(4R)-4-[(1S)-1-methoxyethyl]-3,3-dimethyloxetan-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-methoxyethyl]-3,3-dimethyloxetan-2-one is sourced from PubChem (CID 10487150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).