2-methoxy-3-(oxan-4-ylmethoxy)cyclobutan-1-one

C11H18O4 — CID 104673474

IUPAC2-methoxy-3-(oxan-4-ylmethoxy)cyclobutan-1-one
SMILESCOC1C(=O)CC1OCC1CCOCC1
InChIInChI=1S/C11H18O4/c1-13-11-9(12)6-10(11)15-7-8-2-4-14-5-3-8/h8,10-11H,2-7H2,1H3
InChIKeyHBUAVGQZNLJOMT-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.79
Rot. Bonds4

About 2-methoxy-3-(oxan-4-ylmethoxy)cyclobutan-1-one

2-methoxy-3-(oxan-4-ylmethoxy)cyclobutan-1-one (PubChem CID 104673474) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-methoxy-3-(oxan-4-ylmethoxy)cyclobutan-1-one.

Molecular Properties

Compound Name2-methoxy-3-(oxan-4-ylmethoxy)cyclobutan-1-one
PubChem CID104673474
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-methoxy-3-(oxan-4-ylmethoxy)cyclobutan-1-one
SMILESCOC1C(=O)CC1OCC1CCOCC1
InChIInChI=1S/C11H18O4/c1-13-11-9(12)6-10(11)15-7-8-2-4-14-5-3-8/h8,10-11H,2-7H2,1H3
InChIKeyHBUAVGQZNLJOMT-UHFFFAOYSA-N
XLogP0.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxan-4-ylmethoxy)cyclobutan-1-one
CID 66369304
3-cyclopentyloxy-2-methoxycyclobutan-1-one
CID 104673374
N-methyl-2-(oxan-4-ylmethoxy)cyclopentan-1-amine
CID 62382029
2-ethyl-6-methyl-3-(oxan-4-ylmethoxy)piperidine
CID 103175011
4-[(3-chloro-2-propoxycyclobutyl)oxymethyl]oxane
CID 107942979
N-ethyl-2-(oxan-4-ylmethoxy)-2,3-dihydro-1H-inden-1-amine
CID 62384262
2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine
CID 62382611
2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile
CID 115001962
CID 58450362
CID 58450362
4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane
CID 66343303
3-(oxan-4-ylmethoxy)cyclopentan-1-amine
CID 79458329
3-(oxolan-3-ylmethoxy)cyclohexan-1-one
CID 79618597

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(oxan-4-ylmethoxy)cyclobutan-1-one?
The IUPAC name of 2-methoxy-3-(oxan-4-ylmethoxy)cyclobutan-1-one (CID 104673474) is 2-methoxy-3-(oxan-4-ylmethoxy)cyclobutan-1-one.
What is the SMILES notation for 2-methoxy-3-(oxan-4-ylmethoxy)cyclobutan-1-one?
The canonical SMILES for 2-methoxy-3-(oxan-4-ylmethoxy)cyclobutan-1-one is COC1C(=O)CC1OCC1CCOCC1.
What is the InChIKey of 2-methoxy-3-(oxan-4-ylmethoxy)cyclobutan-1-one?
The InChIKey is HBUAVGQZNLJOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-13-11-9(12)6-10(11)15-7-8-2-4-14-5-3-8/h8,10-11H,2-7H2,1H3.
What are the key properties of 2-methoxy-3-(oxan-4-ylmethoxy)cyclobutan-1-one?
2-methoxy-3-(oxan-4-ylmethoxy)cyclobutan-1-one has a molecular weight of 214.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(oxan-4-ylmethoxy)cyclobutan-1-one is sourced from PubChem (CID 104673474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).