3-cyclopropyl-7-oxabicyclo[4.1.0]heptane

C9H14O — CID 88535344

IUPAC3-cyclopropyl-7-oxabicyclo[4.1.0]heptane
SMILESC1CC1C1CCC2OC2C1
InChIInChI=1S/C9H14O/c1-2-6(1)7-3-4-8-9(5-7)10-8/h6-9H,1-5H2
InChIKeyRUULQQDVBDVTKE-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.96
Rot. Bonds1

About 3-cyclopropyl-7-oxabicyclo[4.1.0]heptane

3-cyclopropyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 88535344) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-cyclopropyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-cyclopropyl-7-oxabicyclo[4.1.0]heptane
PubChem CID88535344
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name3-cyclopropyl-7-oxabicyclo[4.1.0]heptane
SMILESC1CC1C1CCC2OC2C1
InChIInChI=1S/C9H14O/c1-2-6(1)7-3-4-8-9(5-7)10-8/h6-9H,1-5H2
InChIKeyRUULQQDVBDVTKE-UHFFFAOYSA-N
XLogP1.96
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-cyclopropyl-7-oxabicyclo[4.1.0]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane
CID 20724004
3-(7-oxabicyclo[4.1.0]heptan-3-yl)cyclohexan-1-ol
CID 89082378
3-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 19973707
4-cycloheptyl-8-oxabicyclo[5.1.0]octane
CID 54192713
(1S,4S)-5-oxabicyclo[2.1.0]pentane
CID 98125749
3-chloro-4-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane
CID 59765976
3-(1,4-dioxan-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 150634021
6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane
CID 59281682
3-[(Z)-2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane;3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane;3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane
CID 160856686
5'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,2'-oxane]
CID 154980483
2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran
CID 71108604
(1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol
CID 12636256

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-cyclopropyl-7-oxabicyclo[4.1.0]heptane (CID 88535344) is 3-cyclopropyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-cyclopropyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-cyclopropyl-7-oxabicyclo[4.1.0]heptane is C1CC1C1CCC2OC2C1.
What is the InChIKey of 3-cyclopropyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is RUULQQDVBDVTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-6(1)7-3-4-8-9(5-7)10-8/h6-9H,1-5H2.
What are the key properties of 3-cyclopropyl-7-oxabicyclo[4.1.0]heptane?
3-cyclopropyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 138.21 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 88535344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).