1-[(1R,2R)-2-(methoxymethyl)cyclobutyl]-3-methylbutan-1-one

C11H20O2 — CID 170225859

IUPAC1-[(1R,2R)-2-(methoxymethyl)cyclobutyl]-3-methylbutan-1-one
SMILESCOC[C@@H]1CC[C@H]1C(=O)CC(C)C
InChIInChI=1S/C11H20O2/c1-8(2)6-11(12)10-5-4-9(10)7-13-3/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyVLQJRIACPSKDQW-VHSXEESVSA-N
MW184.28 g/mol
LogP2.27
Rot. Bonds5

About 1-[(1R,2R)-2-(methoxymethyl)cyclobutyl]-3-methylbutan-1-one

1-[(1R,2R)-2-(methoxymethyl)cyclobutyl]-3-methylbutan-1-one (PubChem CID 170225859) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(methoxymethyl)cyclobutyl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[(1R,2R)-2-(methoxymethyl)cyclobutyl]-3-methylbutan-1-one
PubChem CID170225859
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-[(1R,2R)-2-(methoxymethyl)cyclobutyl]-3-methylbutan-1-one
SMILESCOC[C@@H]1CC[C@H]1C(=O)CC(C)C
InChIInChI=1S/C11H20O2/c1-8(2)6-11(12)10-5-4-9(10)7-13-3/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyVLQJRIACPSKDQW-VHSXEESVSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(methoxymethyl)cyclobutyl]-3-methylbutan-1-one?
The IUPAC name of 1-[(1R,2R)-2-(methoxymethyl)cyclobutyl]-3-methylbutan-1-one (CID 170225859) is 1-[(1R,2R)-2-(methoxymethyl)cyclobutyl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[(1R,2R)-2-(methoxymethyl)cyclobutyl]-3-methylbutan-1-one?
The canonical SMILES for 1-[(1R,2R)-2-(methoxymethyl)cyclobutyl]-3-methylbutan-1-one is COC[C@@H]1CC[C@H]1C(=O)CC(C)C.
What is the InChIKey of 1-[(1R,2R)-2-(methoxymethyl)cyclobutyl]-3-methylbutan-1-one?
The InChIKey is VLQJRIACPSKDQW-VHSXEESVSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)6-11(12)10-5-4-9(10)7-13-3/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of 1-[(1R,2R)-2-(methoxymethyl)cyclobutyl]-3-methylbutan-1-one?
1-[(1R,2R)-2-(methoxymethyl)cyclobutyl]-3-methylbutan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(methoxymethyl)cyclobutyl]-3-methylbutan-1-one is sourced from PubChem (CID 170225859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).