2-(1-methoxycyclobutyl)-1-(oxolan-3-yl)ethanone

C11H18O3 — CID 103558815

IUPAC2-(1-methoxycyclobutyl)-1-(oxolan-3-yl)ethanone
SMILESCOC1(CC(=O)C2CCOC2)CCC1
InChIInChI=1S/C11H18O3/c1-13-11(4-2-5-11)7-10(12)9-3-6-14-8-9/h9H,2-8H2,1H3
InChIKeyGSEJVRIWXQKTHO-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.55
Rot. Bonds4

About 2-(1-methoxycyclobutyl)-1-(oxolan-3-yl)ethanone

2-(1-methoxycyclobutyl)-1-(oxolan-3-yl)ethanone (PubChem CID 103558815) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-1-(oxolan-3-yl)ethanone
PubChem CID103558815
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-(1-methoxycyclobutyl)-1-(oxolan-3-yl)ethanone
SMILESCOC1(CC(=O)C2CCOC2)CCC1
InChIInChI=1S/C11H18O3/c1-13-11(4-2-5-11)7-10(12)9-3-6-14-8-9/h9H,2-8H2,1H3
InChIKeyGSEJVRIWXQKTHO-UHFFFAOYSA-N
XLogP1.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-2-(1-methoxycyclobutyl)ethanone
CID 103558973
1-cyclohexyl-2-(1-methoxycyclobutyl)ethanone
CID 103558733
2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120690223
1-(1-methoxycyclobutyl)but-3-yn-2-one
CID 103558857
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone
CID 104751821
3-methylsulfonyl-1-(oxolan-3-yl)propan-1-one
CID 65329895
N-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine
CID 103991529
2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone
CID 114950415
2-(4-methoxyoxan-4-yl)acetic acid
CID 84654866
1-(oxolan-3-yl)heptan-1-one
CID 65330226
4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one
CID 65330284
1-(oxan-3-yl)pentan-1-one
CID 65332332

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(1-methoxycyclobutyl)-1-(oxolan-3-yl)ethanone (CID 103558815) is 2-(1-methoxycyclobutyl)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(1-methoxycyclobutyl)-1-(oxolan-3-yl)ethanone is COC1(CC(=O)C2CCOC2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-1-(oxolan-3-yl)ethanone?
The InChIKey is GSEJVRIWXQKTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-13-11(4-2-5-11)7-10(12)9-3-6-14-8-9/h9H,2-8H2,1H3.
What are the key properties of 2-(1-methoxycyclobutyl)-1-(oxolan-3-yl)ethanone?
2-(1-methoxycyclobutyl)-1-(oxolan-3-yl)ethanone has a molecular weight of 198.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 103558815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).