3',6-dimethylspiro[bicyclo[2.2.0]hexane-2,2'-oxirane];ethane

C11H20O — CID 145370070

IUPAC3',6-dimethylspiro[bicyclo[2.2.0]hexane-2,2'-oxirane];ethane
SMILESCC.CC1CC2CC3(OC3C)C12
InChIInChI=1S/C9H14O.C2H6/c1-5-3-7-4-9(8(5)7)6(2)10-9;1-2/h5-8H,3-4H2,1-2H3;1-2H3
InChIKeyRGCVRRANRGRJCC-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.85
Rot. Bonds

About 3',6-dimethylspiro[bicyclo[2.2.0]hexane-2,2'-oxirane];ethane

3',6-dimethylspiro[bicyclo[2.2.0]hexane-2,2'-oxirane];ethane (PubChem CID 145370070) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3',6-dimethylspiro[bicyclo[2.2.0]hexane-2,2'-oxirane];ethane.

Molecular Properties

Compound Name3',6-dimethylspiro[bicyclo[2.2.0]hexane-2,2'-oxirane];ethane
PubChem CID145370070
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3',6-dimethylspiro[bicyclo[2.2.0]hexane-2,2'-oxirane];ethane
SMILESCC.CC1CC2CC3(OC3C)C12
InChIInChI=1S/C9H14O.C2H6/c1-5-3-7-4-9(8(5)7)6(2)10-9;1-2/h5-8H,3-4H2,1-2H3;1-2H3
InChIKeyRGCVRRANRGRJCC-UHFFFAOYSA-N
XLogP2.85
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.85
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

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deuterium monohydride;1,2-dimethylcyclopropane
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(2S,6R)-4,4-difluoro-2,6-dimethylpiperidine
CID 170328463
2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane
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2-cyclopropyl-2,3-dimethyloxirane
CID 173434239
cis-(1R,5R)-1,2,3-trimethyl-5-propan-2-ylcyclohexan-1-amine
CID 68730279
1,2,4,9-tetramethyltetracyclo[6.1.1.02,7.03,6]decane
CID 123168411
2,4-dimethyl-1-oxaspiro[2.5]octane
CID 45120446
(2S)-2-methyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine
CID 138484841
4-methyltetracyclo[3.3.0.01,6.02,7]octane
CID 123988822
1,4,7-trimethyltricyclo[3.3.1.02,7]nonane
CID 123705206

Frequently Asked Questions

What is the IUPAC name of 3',6-dimethylspiro[bicyclo[2.2.0]hexane-2,2'-oxirane];ethane?
The IUPAC name of 3',6-dimethylspiro[bicyclo[2.2.0]hexane-2,2'-oxirane];ethane (CID 145370070) is 3',6-dimethylspiro[bicyclo[2.2.0]hexane-2,2'-oxirane];ethane.
What is the SMILES notation for 3',6-dimethylspiro[bicyclo[2.2.0]hexane-2,2'-oxirane];ethane?
The canonical SMILES for 3',6-dimethylspiro[bicyclo[2.2.0]hexane-2,2'-oxirane];ethane is CC.CC1CC2CC3(OC3C)C12.
What is the InChIKey of 3',6-dimethylspiro[bicyclo[2.2.0]hexane-2,2'-oxirane];ethane?
The InChIKey is RGCVRRANRGRJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.C2H6/c1-5-3-7-4-9(8(5)7)6(2)10-9;1-2/h5-8H,3-4H2,1-2H3;1-2H3.
What are the key properties of 3',6-dimethylspiro[bicyclo[2.2.0]hexane-2,2'-oxirane];ethane?
3',6-dimethylspiro[bicyclo[2.2.0]hexane-2,2'-oxirane];ethane has a molecular weight of 168.28 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3',6-dimethylspiro[bicyclo[2.2.0]hexane-2,2'-oxirane];ethane is sourced from PubChem (CID 145370070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).