(3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one

C8H14O2 — CID 96581858

IUPAC(3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one
SMILESCO[C@@]1(C)CC(=O)C1(C)C
InChIInChI=1S/C8H14O2/c1-7(2)6(9)5-8(7,3)10-4/h5H2,1-4H3/t8-/m0/s1
InChIKeyDAXHMHVNSBLLEZ-QMMMGPOBSA-N
MW142.20 g/mol
LogP1.39
Rot. Bonds1

About (3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one

(3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one (PubChem CID 96581858) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one.

Molecular Properties

Compound Name(3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one
PubChem CID96581858
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one
SMILESCO[C@@]1(C)CC(=O)C1(C)C
InChIInChI=1S/C8H14O2/c1-7(2)6(9)5-8(7,3)10-4/h5H2,1-4H3/t8-/m0/s1
InChIKeyDAXHMHVNSBLLEZ-QMMMGPOBSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one?
The IUPAC name of (3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one (CID 96581858) is (3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one.
What is the SMILES notation for (3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one?
The canonical SMILES for (3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one is CO[C@@]1(C)CC(=O)C1(C)C.
What is the InChIKey of (3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one?
The InChIKey is DAXHMHVNSBLLEZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(2)6(9)5-8(7,3)10-4/h5H2,1-4H3/t8-/m0/s1.
What are the key properties of (3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one?
(3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one has a molecular weight of 142.20 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one is sourced from PubChem (CID 96581858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).