2-(3,3-dimethylbutan-2-yloxymethyl)bicyclo[2.2.0]hexane

C13H24O — CID 123486574

IUPAC2-(3,3-dimethylbutan-2-yloxymethyl)bicyclo[2.2.0]hexane
SMILESCC(OCC1CC2CCC21)C(C)(C)C
InChIInChI=1S/C13H24O/c1-9(13(2,3)4)14-8-11-7-10-5-6-12(10)11/h9-12H,5-8H2,1-4H3
InChIKeyDJLJSKXAPIDSCU-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.48
Rot. Bonds3

About 2-(3,3-dimethylbutan-2-yloxymethyl)bicyclo[2.2.0]hexane

2-(3,3-dimethylbutan-2-yloxymethyl)bicyclo[2.2.0]hexane (PubChem CID 123486574) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-yloxymethyl)bicyclo[2.2.0]hexane.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-yloxymethyl)bicyclo[2.2.0]hexane
PubChem CID123486574
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-(3,3-dimethylbutan-2-yloxymethyl)bicyclo[2.2.0]hexane
SMILESCC(OCC1CC2CCC21)C(C)(C)C
InChIInChI=1S/C13H24O/c1-9(13(2,3)4)14-8-11-7-10-5-6-12(10)11/h9-12H,5-8H2,1-4H3
InChIKeyDJLJSKXAPIDSCU-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-ethylbicyclo[2.2.0]hexane
CID 143524617
4-tert-butyl-2-(propan-2-yloxymethyl)cyclohexan-1-amine
CID 81013975
2-(3,4,5-trimethylheptan-2-yl)bicyclo[2.2.0]hexane
CID 123639406
6-bicyclo[3.2.0]heptanylmethyl 2-(4-methylphenyl)propanoate
CID 166377292
N-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen
CID 163239204
4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-dimethylbutanoate
CID 118041802
4-tert-butyl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-amine
CID 43184301
1-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethyl 2-hydroxypropanoate
CID 58944311
bis(2-methoxybutane);tricyclo[5.2.1.02,6]decane
CID 90978472
2,3-ditert-butyl-5-(2-methoxypropoxymethyl)bicyclo[2.2.1]heptane
CID 71048577
N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine
CID 104575931
6-butan-2-yl-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142317550

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-yloxymethyl)bicyclo[2.2.0]hexane?
The IUPAC name of 2-(3,3-dimethylbutan-2-yloxymethyl)bicyclo[2.2.0]hexane (CID 123486574) is 2-(3,3-dimethylbutan-2-yloxymethyl)bicyclo[2.2.0]hexane.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-yloxymethyl)bicyclo[2.2.0]hexane?
The canonical SMILES for 2-(3,3-dimethylbutan-2-yloxymethyl)bicyclo[2.2.0]hexane is CC(OCC1CC2CCC21)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutan-2-yloxymethyl)bicyclo[2.2.0]hexane?
The InChIKey is DJLJSKXAPIDSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-9(13(2,3)4)14-8-11-7-10-5-6-12(10)11/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-(3,3-dimethylbutan-2-yloxymethyl)bicyclo[2.2.0]hexane?
2-(3,3-dimethylbutan-2-yloxymethyl)bicyclo[2.2.0]hexane has a molecular weight of 196.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-yloxymethyl)bicyclo[2.2.0]hexane is sourced from PubChem (CID 123486574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).