(3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone

C11H18O4 — CID 131001089

IUPAC(3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone
SMILESCOC1(C(=O)C2CCOCC2)CCOC1
InChIInChI=1S/C11H18O4/c1-13-11(4-7-15-8-11)10(12)9-2-5-14-6-3-9/h9H,2-8H2,1H3
InChIKeyLOSCKBRIWIODQU-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.79
Rot. Bonds3

About (3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone

(3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone (PubChem CID 131001089) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone
PubChem CID131001089
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone
SMILESCOC1(C(=O)C2CCOCC2)CCOC1
InChIInChI=1S/C11H18O4/c1-13-11(4-7-15-8-11)10(12)9-2-5-14-6-3-9/h9H,2-8H2,1H3
InChIKeyLOSCKBRIWIODQU-UHFFFAOYSA-N
XLogP0.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

(1-methoxycycloheptyl)-(oxan-4-yl)methanone
CID 116750496
methyl (3S)-3-methoxyoxolane-3-carboxylate
CID 125113070
1-(4-methoxyoxan-4-yl)-2-(oxan-4-yl)ethanone
CID 116748604
cyclobutyl-(1-methoxycyclobutyl)methanone
CID 116706787
3-methoxy-N-propan-2-yloxolane-3-carboxamide
CID 127002234
(3-aminooxolan-3-yl)-(oxolan-3-yl)methanone
CID 116579508
4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid
CID 116774915
[1-(3-methoxyoxolane-3-carbonyl)pyrrolidin-3-yl]boronic acid
CID 154767085
[1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone
CID 79067927
1-(4-methoxyoxan-4-yl)-4,4-dimethylpentan-1-one
CID 116748551
1-(4-methoxyoxan-4-yl)hexan-1-one
CID 116748600
1-(oxane-4-carbonyl)cyclobutane-1-carboxylic acid
CID 116921887

Frequently Asked Questions

What is the IUPAC name of (3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone?
The IUPAC name of (3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone (CID 131001089) is (3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone is COC1(C(=O)C2CCOCC2)CCOC1.
What is the InChIKey of (3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone?
The InChIKey is LOSCKBRIWIODQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-13-11(4-7-15-8-11)10(12)9-2-5-14-6-3-9/h9H,2-8H2,1H3.
What are the key properties of (3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone?
(3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone has a molecular weight of 214.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 131001089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).