trans-(2R,4R)-2-methoxy-4-methylcyclobutan-1-one

C6H10O2 — CID 102057332

IUPACtrans-(2R,4R)-2-methoxy-4-methylcyclobutan-1-one
SMILESCO[C@@H]1C[C@@H](C)C1=O
InChIInChI=1S/C6H10O2/c1-4-3-5(8-2)6(4)7/h4-5H,3H2,1-2H3/t4-,5-/m1/s1
InChIKeyPGRVNYDDWJXIPE-RFZPGFLSSA-N
MW114.14 g/mol
LogP0.61
Rot. Bonds1

About trans-(2R,4R)-2-methoxy-4-methylcyclobutan-1-one

trans-(2R,4R)-2-methoxy-4-methylcyclobutan-1-one (PubChem CID 102057332) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is trans-(2R,4R)-2-methoxy-4-methylcyclobutan-1-one.

Molecular Properties

Compound Nametrans-(2R,4R)-2-methoxy-4-methylcyclobutan-1-one
PubChem CID102057332
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Nametrans-(2R,4R)-2-methoxy-4-methylcyclobutan-1-one
SMILESCO[C@@H]1C[C@@H](C)C1=O
InChIInChI=1S/C6H10O2/c1-4-3-5(8-2)6(4)7/h4-5H,3H2,1-2H3/t4-,5-/m1/s1
InChIKeyPGRVNYDDWJXIPE-RFZPGFLSSA-N
XLogP0.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one
CID 130909521
3-amino-5-methoxy-4-oxocyclohexane-1-carboxylic acid
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(1S,3S,4S,6S)-1,3,4,6-tetramethoxy-1,2,3,4,5,6-hexahydropentalene
CID 101375364
trans-(2R,6R)-4-tert-butyl-2,6-dimethylcyclohexan-1-one
CID 102330787
CID 163861457
CID 163861457
2,5-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-indene-1,4-dione
CID 71328693
(4aS,6S,9aR)-6-methoxy-1,2,3,4,4a,6,7,9a-octahydrobenzo[7]annulen-5-one
CID 11521242
(2R,3R,4S,6S)-2,3,4-trihydroxy-6-methylcyclohexan-1-one
CID 102181044
(7S)-4-methoxy-7-methylazepane-2,5,6-trione
CID 57123881
trans-(3R,5R)-3,5-dimethoxycyclohexan-1-one
CID 22213714
(4S)-4-[(1S,3S)-3-methoxy-2-oxocyclohexyl]azetidin-2-one
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3,4-dihydroxy-6-methoxy-2-methylcyclohex-2-en-1-one
CID 130036863

Frequently Asked Questions

What is the IUPAC name of trans-(2R,4R)-2-methoxy-4-methylcyclobutan-1-one?
The IUPAC name of trans-(2R,4R)-2-methoxy-4-methylcyclobutan-1-one (CID 102057332) is trans-(2R,4R)-2-methoxy-4-methylcyclobutan-1-one.
What is the SMILES notation for trans-(2R,4R)-2-methoxy-4-methylcyclobutan-1-one?
The canonical SMILES for trans-(2R,4R)-2-methoxy-4-methylcyclobutan-1-one is CO[C@@H]1C[C@@H](C)C1=O.
What is the InChIKey of trans-(2R,4R)-2-methoxy-4-methylcyclobutan-1-one?
The InChIKey is PGRVNYDDWJXIPE-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H10O2/c1-4-3-5(8-2)6(4)7/h4-5H,3H2,1-2H3/t4-,5-/m1/s1.
What are the key properties of trans-(2R,4R)-2-methoxy-4-methylcyclobutan-1-one?
trans-(2R,4R)-2-methoxy-4-methylcyclobutan-1-one has a molecular weight of 114.14 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,4R)-2-methoxy-4-methylcyclobutan-1-one is sourced from PubChem (CID 102057332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).