ethane;(1R,5S)-5-methyl-2-oxabicyclo[3.1.0]hexane

C8H16O — CID 155748871

IUPACethane;(1R,5S)-5-methyl-2-oxabicyclo[3.1.0]hexane
SMILESCC.C[C@@]12CCO[C@@H]1C2
InChIInChI=1S/C6H10O.C2H6/c1-6-2-3-7-5(6)4-6;1-2/h5H,2-4H2,1H3;1-2H3/t5-,6+;/m1./s1
InChIKeySCNXPMDNZWHPMA-IBTYICNHSA-N
MW128.22 g/mol
LogP2.21
Rot. Bonds

About ethane;(1R,5S)-5-methyl-2-oxabicyclo[3.1.0]hexane

ethane;(1R,5S)-5-methyl-2-oxabicyclo[3.1.0]hexane (PubChem CID 155748871) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is ethane;(1R,5S)-5-methyl-2-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Nameethane;(1R,5S)-5-methyl-2-oxabicyclo[3.1.0]hexane
PubChem CID155748871
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Nameethane;(1R,5S)-5-methyl-2-oxabicyclo[3.1.0]hexane
SMILESCC.C[C@@]12CCO[C@@H]1C2
InChIInChI=1S/C6H10O.C2H6/c1-6-2-3-7-5(6)4-6;1-2/h5H,2-4H2,1H3;1-2H3/t5-,6+;/m1./s1
InChIKeySCNXPMDNZWHPMA-IBTYICNHSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 130851400
5-methyl-2-oxabicyclo[3.1.1]heptane
CID 170005463
2-(1-methylcyclohexyl)oxolane
CID 23594551
(3aR,6aS)-3a-(bromomethyl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 125455786
(2S)-4,4-difluoro-2-methyloxane
CID 125450788
2-(1-methylcyclobutyl)oxirane
CID 178200623
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
2-(1,2,2-trimethylcyclooctyl)oxocane
CID 174920418
3a-tert-butyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 167376284
3-(bromomethyl)-2,3-dimethyloxolane
CID 114536016
2-(bromomethyl)-7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane
CID 130583037
3-(4,4-dimethyloxan-2-yl)propan-1-ol
CID 24972538

Frequently Asked Questions

What is the IUPAC name of ethane;(1R,5S)-5-methyl-2-oxabicyclo[3.1.0]hexane?
The IUPAC name of ethane;(1R,5S)-5-methyl-2-oxabicyclo[3.1.0]hexane (CID 155748871) is ethane;(1R,5S)-5-methyl-2-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for ethane;(1R,5S)-5-methyl-2-oxabicyclo[3.1.0]hexane?
The canonical SMILES for ethane;(1R,5S)-5-methyl-2-oxabicyclo[3.1.0]hexane is CC.C[C@@]12CCO[C@@H]1C2.
What is the InChIKey of ethane;(1R,5S)-5-methyl-2-oxabicyclo[3.1.0]hexane?
The InChIKey is SCNXPMDNZWHPMA-IBTYICNHSA-N. The full InChI is InChI=1S/C6H10O.C2H6/c1-6-2-3-7-5(6)4-6;1-2/h5H,2-4H2,1H3;1-2H3/t5-,6+;/m1./s1.
What are the key properties of ethane;(1R,5S)-5-methyl-2-oxabicyclo[3.1.0]hexane?
ethane;(1R,5S)-5-methyl-2-oxabicyclo[3.1.0]hexane has a molecular weight of 128.22 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1R,5S)-5-methyl-2-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 155748871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).