1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-(oxan-4-yl)ethanone

C12H18O3 — CID 130764012

IUPAC1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)C1C2COCC21
InChIInChI=1S/C12H18O3/c13-11(5-8-1-3-14-4-2-8)12-9-6-15-7-10(9)12/h8-10,12H,1-7H2
InChIKeyBOWFYIKIKBIFBD-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.26
Rot. Bonds3

About 1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-(oxan-4-yl)ethanone

1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-(oxan-4-yl)ethanone (PubChem CID 130764012) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-(oxan-4-yl)ethanone
PubChem CID130764012
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)C1C2COCC21
InChIInChI=1S/C12H18O3/c13-11(5-8-1-3-14-4-2-8)12-9-6-15-7-10(9)12/h8-10,12H,1-7H2
InChIKeyBOWFYIKIKBIFBD-UHFFFAOYSA-N
XLogP1.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone
CID 114969184
1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone
CID 116587534
1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone
CID 65351380
1-(oxan-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986313
1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone
CID 157249668
2-(oxan-4-ylmethyl)prop-2-enoic acid
CID 117266880
2-(oxan-4-yl)-1-(thiolan-2-yl)ethanone
CID 80622758
1-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-(oxan-4-yl)ethanone
CID 171950745
1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone
CID 116584347
1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone
CID 116584632
5-hydroxy-1-(oxan-4-yl)pentan-2-one
CID 106677450
1-cyclohexyl-3-(oxolan-3-yl)propan-2-one
CID 103986258

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-(oxan-4-yl)ethanone (CID 130764012) is 1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-(oxan-4-yl)ethanone is O=C(CC1CCOCC1)C1C2COCC21.
What is the InChIKey of 1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is BOWFYIKIKBIFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c13-11(5-8-1-3-14-4-2-8)12-9-6-15-7-10(9)12/h8-10,12H,1-7H2.
What are the key properties of 1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-(oxan-4-yl)ethanone?
1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 210.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 130764012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).