1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone

C14H22O2 — CID 114969184

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)C1C2CCCCC21
InChIInChI=1S/C14H22O2/c15-13(9-10-5-7-16-8-6-10)14-11-3-1-2-4-12(11)14/h10-12,14H,1-9H2
InChIKeyICADIAXRQWPOEW-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.81
Rot. Bonds3

About 1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone

1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone (PubChem CID 114969184) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone
PubChem CID114969184
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)C1C2CCCCC21
InChIInChI=1S/C14H22O2/c15-13(9-10-5-7-16-8-6-10)14-11-3-1-2-4-12(11)14/h10-12,14H,1-9H2
InChIKeyICADIAXRQWPOEW-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone with MolForge

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Related Compounds

1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-(oxan-4-yl)ethanone
CID 130764012
1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone
CID 116584632
1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone
CID 157249668
2-(oxan-4-yl)-1-(thiolan-2-yl)ethanone
CID 80622758
1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone
CID 116584347
4-cyclohexyl-1-(oxan-4-yl)butan-2-one
CID 114969110
1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone
CID 65351380
1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone
CID 116587534
1-(oxan-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986313
1-cyclohexyl-3-(oxolan-3-yl)propan-2-one
CID 103986258
2-(oxan-4-ylmethyl)prop-2-enoic acid
CID 117266880
oxan-4-ylmethanol
CID 2773573

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone (CID 114969184) is 1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone is O=C(CC1CCOCC1)C1C2CCCCC21.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone?
The InChIKey is ICADIAXRQWPOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c15-13(9-10-5-7-16-8-6-10)14-11-3-1-2-4-12(11)14/h10-12,14H,1-9H2.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone?
1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone has a molecular weight of 222.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 114969184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).