ethane;7-oxabicyclo[4.1.0]heptane

C10H22O — CID 91307792

IUPACethane;7-oxabicyclo[4.1.0]heptane
SMILESC1CCC2OC2C1.CC.CC
InChIInChI=1S/C6H10O.2C2H6/c1-2-4-6-5(3-1)7-6;2*1-2/h5-6H,1-4H2;2*1-2H3
InChIKeyPWWKUEVFHWDYPS-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.38
Rot. Bonds

About ethane;7-oxabicyclo[4.1.0]heptane

ethane;7-oxabicyclo[4.1.0]heptane (PubChem CID 91307792) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is ethane;7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Nameethane;7-oxabicyclo[4.1.0]heptane
PubChem CID91307792
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Nameethane;7-oxabicyclo[4.1.0]heptane
SMILESC1CCC2OC2C1.CC.CC
InChIInChI=1S/C6H10O.2C2H6/c1-2-4-6-5(3-1)7-6;2*1-2/h5-6H,1-4H2;2*1-2H3
InChIKeyPWWKUEVFHWDYPS-UHFFFAOYSA-N
XLogP3.38
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,6R)-7-oxabicyclo[4.1.0]heptane
CID 637978
25-oxabicyclo[22.1.0]pentacosane
CID 156633217
(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 122419523
7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 88907444
ethane;2-methylpropane;8-oxabicyclo[5.1.0]octane
CID 159343049
sodium;hydride;7-oxabicyclo[4.1.0]heptane
CID 173104764
7-oxabicyclo[4.1.0]heptane;oxirane
CID 131984165
(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750
1,4-dioxane;7-oxabicyclo[4.1.0]heptane
CID 174406152
ethane;2-ethyl-3-methyloxirane;7-oxabicyclo[4.1.0]heptane
CID 158159341
(1S,4S)-5-oxabicyclo[2.1.0]pentane
CID 98125749

Frequently Asked Questions

What is the IUPAC name of ethane;7-oxabicyclo[4.1.0]heptane?
The IUPAC name of ethane;7-oxabicyclo[4.1.0]heptane (CID 91307792) is ethane;7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for ethane;7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for ethane;7-oxabicyclo[4.1.0]heptane is C1CCC2OC2C1.CC.CC.
What is the InChIKey of ethane;7-oxabicyclo[4.1.0]heptane?
The InChIKey is PWWKUEVFHWDYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.2C2H6/c1-2-4-6-5(3-1)7-6;2*1-2/h5-6H,1-4H2;2*1-2H3.
What are the key properties of ethane;7-oxabicyclo[4.1.0]heptane?
ethane;7-oxabicyclo[4.1.0]heptane has a molecular weight of 158.28 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 91307792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).