bis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane

C33H66O4 — CID 159465161

IUPACbis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane
SMILESCC(C)(C)OC1CC1.CC(C)(C)OC1CCCC1.CC(C)(C)OC1CCCC1.CC(C)(C)OCC1CC1
InChIInChI=1S/2C9H18O.C8H16O.C7H14O/c2*1-9(2,3)10-8-6-4-5-7-8;1-8(2,3)9-6-7-4-5-7;1-7(2,3)8-6-4-5-6/h2*8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyLVBXAUOPROLACV-UHFFFAOYSA-N
MW526.89 g/mol
LogP9.66
Rot. Bonds5

About bis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane

bis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane (PubChem CID 159465161) has the molecular formula C33H66O4 and a molecular weight of 526.89 g/mol. Its IUPAC name is bis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane.

Molecular Properties

Compound Namebis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane
PubChem CID159465161
Molecular FormulaC33H66O4
Molecular Weight526.89 g/mol
Exact Mass526.50
IUPAC Namebis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane
SMILESCC(C)(C)OC1CC1.CC(C)(C)OC1CCCC1.CC(C)(C)OC1CCCC1.CC(C)(C)OCC1CC1
InChIInChI=1S/2C9H18O.C8H16O.C7H14O/c2*1-9(2,3)10-8-6-4-5-7-8;1-8(2,3)9-6-7-4-5-7;1-7(2,3)8-6-4-5-6/h2*8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyLVBXAUOPROLACV-UHFFFAOYSA-N
XLogP9.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.89
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine
CID 155794407
ethyl formate;(2-methylpropan-2-yl)oxycyclohexane
CID 143998668
N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine
CID 176728249
4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate
CID 144530470
(2-methylpropan-2-yl)oxymethoxycyclohexane
CID 15032741
(2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxane
CID 170102403
N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine
CID 155794064
1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene
CID 68741216
1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane
CID 56980867
(3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 94408814
1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine
CID 122502417
[4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]propan-2-yl]cyclohexyl] 3-[[3-(2,3-dimethylbutanoyloxymethyl)cyclohexyl]methoxy]-2,2,3-trimethylbutanoate
CID 123875162

Frequently Asked Questions

What is the IUPAC name of bis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane?
The IUPAC name of bis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane (CID 159465161) is bis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane.
What is the SMILES notation for bis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane?
The canonical SMILES for bis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane is CC(C)(C)OC1CC1.CC(C)(C)OC1CCCC1.CC(C)(C)OC1CCCC1.CC(C)(C)OCC1CC1.
What is the InChIKey of bis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane?
The InChIKey is LVBXAUOPROLACV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18O.C8H16O.C7H14O/c2*1-9(2,3)10-8-6-4-5-7-8;1-8(2,3)9-6-7-4-5-7;1-7(2,3)8-6-4-5-6/h2*8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of bis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane?
bis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane has a molecular weight of 526.89 g/mol, XLogP of 9.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane is sourced from PubChem (CID 159465161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).