1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane

C13H26O — CID 56980867

IUPAC1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane
SMILESCC1(C)CCCC(COC(C)(C)C)C1
InChIInChI=1S/C13H26O/c1-12(2,3)14-10-11-7-6-8-13(4,5)9-11/h11H,6-10H2,1-5H3
InChIKeyHCLQDUCIEXWWHL-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.02
Rot. Bonds2

About 1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane

1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane (PubChem CID 56980867) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane.

Molecular Properties

Compound Name1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane
PubChem CID56980867
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane
SMILESCC1(C)CCCC(COC(C)(C)C)C1
InChIInChI=1S/C13H26O/c1-12(2,3)14-10-11-7-6-8-13(4,5)9-11/h11H,6-10H2,1-5H3
InChIKeyHCLQDUCIEXWWHL-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dimethyl-3-(methylperoxymethyl)cyclohexane
CID 163495492
(3,3-dimethylcyclohexyl)methanol
CID 14034040
(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 95371246
2-hydroperoxy-2-methylpropane;1,1,3-trimethylcyclohexane
CID 174385577
1,1,2,2-tetramethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
CID 126576854
N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine
CID 155794064
CID 12013874
CID 12013874
ethyl 4-[2-(3,3-dimethylcyclohexyl)ethoxy]-4-methylpent-2-enoate
CID 91124585
bis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane
CID 159465161
N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine
CID 65084515
4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate
CID 144530470
2-(tert-butylamino)-1-(3,3-dimethylcyclohexyl)-4,4-dimethylpentan-3-one
CID 22972943

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane?
The IUPAC name of 1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane (CID 56980867) is 1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane.
What is the SMILES notation for 1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane?
The canonical SMILES for 1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane is CC1(C)CCCC(COC(C)(C)C)C1.
What is the InChIKey of 1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane?
The InChIKey is HCLQDUCIEXWWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-12(2,3)14-10-11-7-6-8-13(4,5)9-11/h11H,6-10H2,1-5H3.
What are the key properties of 1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane?
1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane has a molecular weight of 198.35 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane is sourced from PubChem (CID 56980867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).