3-[(2R)-3,3-dimethylbutan-2-yl]-1-methoxy-1-methylcyclobutane

C12H24O — CID 171753314

IUPAC3-[(2R)-3,3-dimethylbutan-2-yl]-1-methoxy-1-methylcyclobutane
SMILESCOC1(C)CC([C@@H](C)C(C)(C)C)C1
InChIInChI=1S/C12H24O/c1-9(11(2,3)4)10-7-12(5,8-10)13-6/h9-10H,7-8H2,1-6H3/t9-,10?,12?/m1/s1
InChIKeyTXZBETVPLRGULD-GRZMOONWSA-N
MW184.32 g/mol
LogP3.48
Rot. Bonds2

About 3-[(2R)-3,3-dimethylbutan-2-yl]-1-methoxy-1-methylcyclobutane

3-[(2R)-3,3-dimethylbutan-2-yl]-1-methoxy-1-methylcyclobutane (PubChem CID 171753314) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-[(2R)-3,3-dimethylbutan-2-yl]-1-methoxy-1-methylcyclobutane.

Molecular Properties

Compound Name3-[(2R)-3,3-dimethylbutan-2-yl]-1-methoxy-1-methylcyclobutane
PubChem CID171753314
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-[(2R)-3,3-dimethylbutan-2-yl]-1-methoxy-1-methylcyclobutane
SMILESCOC1(C)CC([C@@H](C)C(C)(C)C)C1
InChIInChI=1S/C12H24O/c1-9(11(2,3)4)10-7-12(5,8-10)13-6/h9-10H,7-8H2,1-6H3/t9-,10?,12?/m1/s1
InChIKeyTXZBETVPLRGULD-GRZMOONWSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane
CID 170179238
3,3-dimethylbutan-2-ylcyclopropane
CID 13275215
4-[(2R)-3,3-dimethylbutan-2-yl]piperidine
CID 146228118
4-(3,3-dimethylbutan-2-yl)oxane
CID 58260872
N-ethyl-3-methoxy-3-methylcyclobutan-1-amine
CID 163461542
1-tert-butyl-2,2-dimethyl-3-propan-2-ylbicyclo[1.1.0]butane
CID 91436034
1-ethynyl-4-methoxy-4-methyl-2-propan-2-ylpyrrolidine
CID 167655730
(1R,4S,5R)-1,2,3,4,7,7-hexachloro-5-[(2R)-3,3-dimethylbutan-2-yl]bicyclo[2.2.1]hept-2-ene
CID 10524118
bis(1-methyl-4-propan-2-ylcyclohexyl) 2,2-dimethylbutanedioate
CID 141067739
1,1-difluoro-4-methoxy-4-methylcyclohexane
CID 122579761
(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane
CID 57231071
1-(bromomethyl)-2-(3,3-dimethylbutan-2-yl)cyclopropane
CID 130507145

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-3,3-dimethylbutan-2-yl]-1-methoxy-1-methylcyclobutane?
The IUPAC name of 3-[(2R)-3,3-dimethylbutan-2-yl]-1-methoxy-1-methylcyclobutane (CID 171753314) is 3-[(2R)-3,3-dimethylbutan-2-yl]-1-methoxy-1-methylcyclobutane.
What is the SMILES notation for 3-[(2R)-3,3-dimethylbutan-2-yl]-1-methoxy-1-methylcyclobutane?
The canonical SMILES for 3-[(2R)-3,3-dimethylbutan-2-yl]-1-methoxy-1-methylcyclobutane is COC1(C)CC([C@@H](C)C(C)(C)C)C1.
What is the InChIKey of 3-[(2R)-3,3-dimethylbutan-2-yl]-1-methoxy-1-methylcyclobutane?
The InChIKey is TXZBETVPLRGULD-GRZMOONWSA-N. The full InChI is InChI=1S/C12H24O/c1-9(11(2,3)4)10-7-12(5,8-10)13-6/h9-10H,7-8H2,1-6H3/t9-,10?,12?/m1/s1.
What are the key properties of 3-[(2R)-3,3-dimethylbutan-2-yl]-1-methoxy-1-methylcyclobutane?
3-[(2R)-3,3-dimethylbutan-2-yl]-1-methoxy-1-methylcyclobutane has a molecular weight of 184.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3,3-dimethylbutan-2-yl]-1-methoxy-1-methylcyclobutane is sourced from PubChem (CID 171753314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).