1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane

C12H24O — CID 89381859

IUPAC1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane
SMILESCC1CCC(O[C@H](C)C(C)C)CC1
InChIInChI=1S/C12H24O/c1-9(2)11(4)13-12-7-5-10(3)6-8-12/h9-12H,5-8H2,1-4H3/t10?,11-,12?/m1/s1
InChIKeyVXHLHYGWQSONRL-MOENNCHZSA-N
MW184.32 g/mol
LogP3.63
Rot. Bonds3

About 1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane

1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane (PubChem CID 89381859) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane.

Molecular Properties

Compound Name1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane
PubChem CID89381859
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane
SMILESCC1CCC(O[C@H](C)C(C)C)CC1
InChIInChI=1S/C12H24O/c1-9(2)11(4)13-12-7-5-10(3)6-8-12/h9-12H,5-8H2,1-4H3/t10?,11-,12?/m1/s1
InChIKeyVXHLHYGWQSONRL-MOENNCHZSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethoxy)-4-methylcyclohexane;ethane
CID 142353854
4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine
CID 160735997
1-(difluoromethoxy)-4-methylcyclohexane;ethene
CID 158991402
3-methylbutan-2-yloxycyclopentane;propane-1,2-diol
CID 175276531
1-heptan-2-yloxy-4-methylcyclohexane
CID 71132789
(3R)-3-(3-methylbutan-2-yloxy)pyrrolidine
CID 115460465
N-ethyl-2-(4-methylcyclohexyl)oxypropan-1-amine
CID 62444134
4-(3-methylbutan-2-yloxy)cyclohexene
CID 89432419
2-cyclopropyloxypentan-3-yloxycyclopropane
CID 175423112
O-(4-methylcyclohexyl)hydroxylamine
CID 22057712
(4-methylcyclohexyl) (2S)-2-amino-3-methylbutanoate
CID 61278229
2-(4-methylcyclohexyl)oxybutanoic acid
CID 43808830

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane?
The IUPAC name of 1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane (CID 89381859) is 1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane.
What is the SMILES notation for 1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane?
The canonical SMILES for 1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane is CC1CCC(O[C@H](C)C(C)C)CC1.
What is the InChIKey of 1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane?
The InChIKey is VXHLHYGWQSONRL-MOENNCHZSA-N. The full InChI is InChI=1S/C12H24O/c1-9(2)11(4)13-12-7-5-10(3)6-8-12/h9-12H,5-8H2,1-4H3/t10?,11-,12?/m1/s1.
What are the key properties of 1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane?
1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane has a molecular weight of 184.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane is sourced from PubChem (CID 89381859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).