2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methoxypropane;2-methyloxane;2-methyloxolane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane;1-propan-2-yloxypropane;2-propan-2-yloxypropane

C91H196O13 — CID 161476311

IUPAC2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methoxypropane;2-methyloxane;2-methyloxolane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane;1-propan-2-yloxypropane;2-propan-2-yloxypropane
SMILESCC(C)OC(C)(C)C.CC(C)OC(C)C.CC(C)OC1CCCC1.CC(C)OC1CCCCC1.CC(C)OCC(C)(C)C.CC(C)OCC1CCCC1.CC(C)OCC1CCCCC1.CC1CCCCO1.CC1CCCO1.CCC(C)(C)OC(C)C.CCCOC(C)C.CCOC(C)C.COC(C)C
InChIInChI=1S/C10H20O.2C9H18O.C8H16O.2C8H18O.C7H16O.C6H12O.2C6H14O.C5H10O.C5H12O.C4H10O/c1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)10-7-9-5-3-4-6-9;1-8(2)10-9-6-4-3-5-7-9;1-7(2)9-8-5-3-4-6-8;1-7(2)9-6-8(3,4)5;1-6-8(4,5)9-7(2)3;1-6(2)8-7(3,4)5;1-6-4-2-3-5-7-6;1-5(2)7-6(3)4;1-4-5-7-6(2)3;1-5-3-2-4-6-5;1-4-6-5(2)3;1-4(2)5-3/h9-10H,3-8H2,1-2H3;2*8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,6H2,1-5H3;6H,1-5H3;6H,2-5H2,1H3;5-6H,1-4H3;6H,4-5H2,1-3H3;5H,2-4H2,1H3;5H,4H2,1-3H3;4H,1-3H3
InChIKeyWDTJUBIYWWKKRQ-UHFFFAOYSA-N
MW1498.56 g/mol
LogP26.83
Rot. Bonds24

About 2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methoxypropane;2-methyloxane;2-methyloxolane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane;1-propan-2-yloxypropane;2-propan-2-yloxypropane

2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methoxypropane;2-methyloxane;2-methyloxolane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane;1-propan-2-yloxypropane;2-propan-2-yloxypropane (PubChem CID 161476311) has the molecular formula C91H196O13 and a molecular weight of 1498.56 g/mol. Its IUPAC name is 2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methoxypropane;2-methyloxane;2-methyloxolane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane;1-propan-2-yloxypropane;2-propan-2-yloxypropane.

Molecular Properties

Compound Name2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methoxypropane;2-methyloxane;2-methyloxolane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane;1-propan-2-yloxypropane;2-propan-2-yloxypropane
PubChem CID161476311
Molecular FormulaC91H196O13
Molecular Weight1498.56 g/mol
Exact Mass1497.47
IUPAC Name2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methoxypropane;2-methyloxane;2-methyloxolane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane;1-propan-2-yloxypropane;2-propan-2-yloxypropane
SMILESCC(C)OC(C)(C)C.CC(C)OC(C)C.CC(C)OC1CCCC1.CC(C)OC1CCCCC1.CC(C)OCC(C)(C)C.CC(C)OCC1CCCC1.CC(C)OCC1CCCCC1.CC1CCCCO1.CC1CCCO1.CCC(C)(C)OC(C)C.CCCOC(C)C.CCOC(C)C.COC(C)C
InChIInChI=1S/C10H20O.2C9H18O.C8H16O.2C8H18O.C7H16O.C6H12O.2C6H14O.C5H10O.C5H12O.C4H10O/c1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)10-7-9-5-3-4-6-9;1-8(2)10-9-6-4-3-5-7-9;1-7(2)9-8-5-3-4-6-8;1-7(2)9-6-8(3,4)5;1-6-8(4,5)9-7(2)3;1-6(2)8-7(3,4)5;1-6-4-2-3-5-7-6;1-5(2)7-6(3)4;1-4-5-7-6(2)3;1-5-3-2-4-6-5;1-4-6-5(2)3;1-4(2)5-3/h9-10H,3-8H2,1-2H3;2*8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,6H2,1-5H3;6H,1-5H3;6H,2-5H2,1H3;5-6H,1-4H3;6H,4-5H2,1-3H3;5H,2-4H2,1H3;5H,4H2,1-3H3;4H,1-3H3
InChIKeyWDTJUBIYWWKKRQ-UHFFFAOYSA-N
XLogP26.83
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001498.56
LogP ≤ 526.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methoxypropane;2-methyloxane;2-methyloxolane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane;1-propan-2-yloxypropane;2-propan-2-yloxypropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methoxypropane;2-methyloxane;2-methyloxolane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane;1-propan-2-yloxypropane;2-propan-2-yloxypropane?
The IUPAC name of 2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methoxypropane;2-methyloxane;2-methyloxolane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane;1-propan-2-yloxypropane;2-propan-2-yloxypropane (CID 161476311) is 2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methoxypropane;2-methyloxane;2-methyloxolane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane;1-propan-2-yloxypropane;2-propan-2-yloxypropane.
What is the SMILES notation for 2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methoxypropane;2-methyloxane;2-methyloxolane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane;1-propan-2-yloxypropane;2-propan-2-yloxypropane?
The canonical SMILES for 2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methoxypropane;2-methyloxane;2-methyloxolane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane;1-propan-2-yloxypropane;2-propan-2-yloxypropane is CC(C)OC(C)(C)C.CC(C)OC(C)C.CC(C)OC1CCCC1.CC(C)OC1CCCCC1.CC(C)OCC(C)(C)C.CC(C)OCC1CCCC1.CC(C)OCC1CCCCC1.CC1CCCCO1.CC1CCCO1.CCC(C)(C)OC(C)C.CCCOC(C)C.CCOC(C)C.COC(C)C.
What is the InChIKey of 2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methoxypropane;2-methyloxane;2-methyloxolane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane;1-propan-2-yloxypropane;2-propan-2-yloxypropane?
The InChIKey is WDTJUBIYWWKKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.2C9H18O.C8H16O.2C8H18O.C7H16O.C6H12O.2C6H14O.C5H10O.C5H12O.C4H10O/c1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)10-7-9-5-3-4-6-9;1-8(2)10-9-6-4-3-5-7-9;1-7(2)9-8-5-3-4-6-8;1-7(2)9-6-8(3,4)5;1-6-8(4,5)9-7(2)3;1-6(2)8-7(3,4)5;1-6-4-2-3-5-7-6;1-5(2)7-6(3)4;1-4-5-7-6(2)3;1-5-3-2-4-6-5;1-4-6-5(2)3;1-4(2)5-3/h9-10H,3-8H2,1-2H3;2*8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,6H2,1-5H3;6H,1-5H3;6H,2-5H2,1H3;5-6H,1-4H3;6H,4-5H2,1-3H3;5H,2-4H2,1H3;5H,4H2,1-3H3;4H,1-3H3.
What are the key properties of 2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methoxypropane;2-methyloxane;2-methyloxolane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane;1-propan-2-yloxypropane;2-propan-2-yloxypropane?
2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methoxypropane;2-methyloxane;2-methyloxolane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane;1-propan-2-yloxypropane;2-propan-2-yloxypropane has a molecular weight of 1498.56 g/mol, XLogP of 26.83, 24 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methoxypropane;2-methyloxane;2-methyloxolane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane;1-propan-2-yloxypropane;2-propan-2-yloxypropane is sourced from PubChem (CID 161476311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).