1,1,5-trimethyl-2,3-bis[(2-methylpropan-2-yl)oxy]cyclohexane

C17H34O2 — CID 22468312

IUPAC1,1,5-trimethyl-2,3-bis[(2-methylpropan-2-yl)oxy]cyclohexane
SMILESCC1CC(OC(C)(C)C)C(OC(C)(C)C)C(C)(C)C1
InChIInChI=1S/C17H34O2/c1-12-10-13(18-15(2,3)4)14(17(8,9)11-12)19-16(5,6)7/h12-14H,10-11H2,1-9H3
InChIKeyHZFDSVAZPDQTNH-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.81
Rot. Bonds2

About 1,1,5-trimethyl-2,3-bis[(2-methylpropan-2-yl)oxy]cyclohexane

1,1,5-trimethyl-2,3-bis[(2-methylpropan-2-yl)oxy]cyclohexane (PubChem CID 22468312) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1,1,5-trimethyl-2,3-bis[(2-methylpropan-2-yl)oxy]cyclohexane.

Molecular Properties

Compound Name1,1,5-trimethyl-2,3-bis[(2-methylpropan-2-yl)oxy]cyclohexane
PubChem CID22468312
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name1,1,5-trimethyl-2,3-bis[(2-methylpropan-2-yl)oxy]cyclohexane
SMILESCC1CC(OC(C)(C)C)C(OC(C)(C)C)C(C)(C)C1
InChIInChI=1S/C17H34O2/c1-12-10-13(18-15(2,3)4)14(17(8,9)11-12)19-16(5,6)7/h12-14H,10-11H2,1-9H3
InChIKeyHZFDSVAZPDQTNH-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane
CID 6427704
trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane
CID 137488514
trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane
CID 66800520
(5R)-3-tert-butyl-1,1,5-trimethylcyclohexane
CID 59984592
N-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine
CID 61222833
(1R,3R,4R)-3-hydroxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
CID 66752720
1,1,3-trimethylcyclobutane
CID 12656861
tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate
CID 107237944
CID 58818162
CID 58818162
[(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine
CID 93286265
(2S,4R,6R)-6-tert-butyl-2-[(2R,4S,6S)-6-tert-butyl-2,4-dimethyloxan-2-yl]peroxy-2,4-dimethyloxane
CID 10904739
7-(aminomethyl)-2,2,5-trimethyl-1,3,3a,4,5,6,7,7a-octahydroinden-4-amine
CID 166684445

Frequently Asked Questions

What is the IUPAC name of 1,1,5-trimethyl-2,3-bis[(2-methylpropan-2-yl)oxy]cyclohexane?
The IUPAC name of 1,1,5-trimethyl-2,3-bis[(2-methylpropan-2-yl)oxy]cyclohexane (CID 22468312) is 1,1,5-trimethyl-2,3-bis[(2-methylpropan-2-yl)oxy]cyclohexane.
What is the SMILES notation for 1,1,5-trimethyl-2,3-bis[(2-methylpropan-2-yl)oxy]cyclohexane?
The canonical SMILES for 1,1,5-trimethyl-2,3-bis[(2-methylpropan-2-yl)oxy]cyclohexane is CC1CC(OC(C)(C)C)C(OC(C)(C)C)C(C)(C)C1.
What is the InChIKey of 1,1,5-trimethyl-2,3-bis[(2-methylpropan-2-yl)oxy]cyclohexane?
The InChIKey is HZFDSVAZPDQTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-12-10-13(18-15(2,3)4)14(17(8,9)11-12)19-16(5,6)7/h12-14H,10-11H2,1-9H3.
What are the key properties of 1,1,5-trimethyl-2,3-bis[(2-methylpropan-2-yl)oxy]cyclohexane?
1,1,5-trimethyl-2,3-bis[(2-methylpropan-2-yl)oxy]cyclohexane has a molecular weight of 270.46 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5-trimethyl-2,3-bis[(2-methylpropan-2-yl)oxy]cyclohexane is sourced from PubChem (CID 22468312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).