2,2-dimethyl-1-propan-2-yloxypropane;1-ethoxyadamantane;2-ethoxybicyclo[2.2.1]heptane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)bicyclo[2.2.1]heptane;8-(ethoxymethyl)tricyclo[5.2.1.02,6]decane;8-ethoxytricyclo[5.2.1.02,6]decane;2-methyloxane;2-methyloxolane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane

C124H230O13 — CID 157458690

IUPAC2,2-dimethyl-1-propan-2-yloxypropane;1-ethoxyadamantane;2-ethoxybicyclo[2.2.1]heptane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)bicyclo[2.2.1]heptane;8-(ethoxymethyl)tricyclo[5.2.1.02,6]decane;8-ethoxytricyclo[5.2.1.02,6]decane;2-methyloxane;2-methyloxolane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane
SMILESCC(C)OC1CCCC1.CC(C)OC1CCCCC1.CC(C)OCC(C)(C)C.CC(C)OCC1CCCC1.CC(C)OCC1CCCCC1.CC1CCCCO1.CC1CCCO1.CCOC12CC3CC(CC(C3)C1)C2.CCOC1CC2CC1C1CCCC21.CCOC1CC2CCC1C2.CCOCC12CC3CC(CC(C3)C1)C2.CCOCC1CC2CC1C1CCCC21.CCOCC1CC2CCC1C2
InChIInChI=1S/2C13H22O.2C12H20O.C10H18O.C10H20O.C9H16O.2C9H18O.C8H16O.C8H18O.C6H12O.C5H10O/c1-2-14-9-13-6-10-3-11(7-13)5-12(4-10)8-13;1-2-14-8-10-6-9-7-13(10)12-5-3-4-11(9)12;1-2-13-12-6-9-3-10(7-12)5-11(4-9)8-12;1-2-13-12-7-8-6-11(12)10-5-3-4-9(8)10;1-2-11-7-10-6-8-3-4-9(10)5-8;1-9(2)11-8-10-6-4-3-5-7-10;1-2-10-9-6-7-3-4-8(9)5-7;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;1-6-4-2-3-5-7-6;1-5-3-2-4-6-5/h10-12H,2-9H2,1H3;9-13H,2-8H2,1H3;9-11H,2-8H2,1H3;8-12H,2-7H2,1H3;8-10H,2-7H2,1H3;9-10H,3-8H2,1-2H3;7-9H,2-6H2,1H3;2*8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,6H2,1-5H3;6H,2-5H2,1H3;5H,2-4H2,1H3
InChIKeyBTQYKTWYDFQLQA-UHFFFAOYSA-N
MW1929.19 g/mol
LogP32.75
Rot. Bonds27

About 2,2-dimethyl-1-propan-2-yloxypropane;1-ethoxyadamantane;2-ethoxybicyclo[2.2.1]heptane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)bicyclo[2.2.1]heptane;8-(ethoxymethyl)tricyclo[5.2.1.02,6]decane;8-ethoxytricyclo[5.2.1.02,6]decane;2-methyloxane;2-methyloxolane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane

2,2-dimethyl-1-propan-2-yloxypropane;1-ethoxyadamantane;2-ethoxybicyclo[2.2.1]heptane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)bicyclo[2.2.1]heptane;8-(ethoxymethyl)tricyclo[5.2.1.02,6]decane;8-ethoxytricyclo[5.2.1.02,6]decane;2-methyloxane;2-methyloxolane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane (PubChem CID 157458690) has the molecular formula C124H230O13 and a molecular weight of 1929.19 g/mol. Its IUPAC name is 2,2-dimethyl-1-propan-2-yloxypropane;1-ethoxyadamantane;2-ethoxybicyclo[2.2.1]heptane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)bicyclo[2.2.1]heptane;8-(ethoxymethyl)tricyclo[5.2.1.02,6]decane;8-ethoxytricyclo[5.2.1.02,6]decane;2-methyloxane;2-methyloxolane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane.

Molecular Properties

Compound Name2,2-dimethyl-1-propan-2-yloxypropane;1-ethoxyadamantane;2-ethoxybicyclo[2.2.1]heptane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)bicyclo[2.2.1]heptane;8-(ethoxymethyl)tricyclo[5.2.1.02,6]decane;8-ethoxytricyclo[5.2.1.02,6]decane;2-methyloxane;2-methyloxolane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane
PubChem CID157458690
Molecular FormulaC124H230O13
Molecular Weight1929.19 g/mol
Exact Mass1927.73
IUPAC Name2,2-dimethyl-1-propan-2-yloxypropane;1-ethoxyadamantane;2-ethoxybicyclo[2.2.1]heptane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)bicyclo[2.2.1]heptane;8-(ethoxymethyl)tricyclo[5.2.1.02,6]decane;8-ethoxytricyclo[5.2.1.02,6]decane;2-methyloxane;2-methyloxolane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane
SMILESCC(C)OC1CCCC1.CC(C)OC1CCCCC1.CC(C)OCC(C)(C)C.CC(C)OCC1CCCC1.CC(C)OCC1CCCCC1.CC1CCCCO1.CC1CCCO1.CCOC12CC3CC(CC(C3)C1)C2.CCOC1CC2CC1C1CCCC21.CCOC1CC2CCC1C2.CCOCC12CC3CC(CC(C3)C1)C2.CCOCC1CC2CC1C1CCCC21.CCOCC1CC2CCC1C2
InChIInChI=1S/2C13H22O.2C12H20O.C10H18O.C10H20O.C9H16O.2C9H18O.C8H16O.C8H18O.C6H12O.C5H10O/c1-2-14-9-13-6-10-3-11(7-13)5-12(4-10)8-13;1-2-14-8-10-6-9-7-13(10)12-5-3-4-11(9)12;1-2-13-12-6-9-3-10(7-12)5-11(4-9)8-12;1-2-13-12-7-8-6-11(12)10-5-3-4-9(8)10;1-2-11-7-10-6-8-3-4-9(10)5-8;1-9(2)11-8-10-6-4-3-5-7-10;1-2-10-9-6-7-3-4-8(9)5-7;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;1-6-4-2-3-5-7-6;1-5-3-2-4-6-5/h10-12H,2-9H2,1H3;9-13H,2-8H2,1H3;9-11H,2-8H2,1H3;8-12H,2-7H2,1H3;8-10H,2-7H2,1H3;9-10H,3-8H2,1-2H3;7-9H,2-6H2,1H3;2*8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,6H2,1-5H3;6H,2-5H2,1H3;5H,2-4H2,1H3
InChIKeyBTQYKTWYDFQLQA-UHFFFAOYSA-N
XLogP32.75
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds27
Heavy Atoms137
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001929.19
LogP ≤ 532.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2,2-dimethyl-1-propan-2-yloxypropane;1-ethoxyadamantane;2-ethoxybicyclo[2.2.1]heptane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)bicyclo[2.2.1]heptane;8-(ethoxymethyl)tricyclo[5.2.1.02,6]decane;8-ethoxytricyclo[5.2.1.02,6]decane;2-methyloxane;2-methyloxolane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-propan-2-yloxypropane;1-ethoxyadamantane;2-ethoxybicyclo[2.2.1]heptane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)bicyclo[2.2.1]heptane;8-(ethoxymethyl)tricyclo[5.2.1.02,6]decane;8-ethoxytricyclo[5.2.1.02,6]decane;2-methyloxane;2-methyloxolane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane?
The IUPAC name of 2,2-dimethyl-1-propan-2-yloxypropane;1-ethoxyadamantane;2-ethoxybicyclo[2.2.1]heptane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)bicyclo[2.2.1]heptane;8-(ethoxymethyl)tricyclo[5.2.1.02,6]decane;8-ethoxytricyclo[5.2.1.02,6]decane;2-methyloxane;2-methyloxolane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane (CID 157458690) is 2,2-dimethyl-1-propan-2-yloxypropane;1-ethoxyadamantane;2-ethoxybicyclo[2.2.1]heptane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)bicyclo[2.2.1]heptane;8-(ethoxymethyl)tricyclo[5.2.1.02,6]decane;8-ethoxytricyclo[5.2.1.02,6]decane;2-methyloxane;2-methyloxolane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane.
What is the SMILES notation for 2,2-dimethyl-1-propan-2-yloxypropane;1-ethoxyadamantane;2-ethoxybicyclo[2.2.1]heptane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)bicyclo[2.2.1]heptane;8-(ethoxymethyl)tricyclo[5.2.1.02,6]decane;8-ethoxytricyclo[5.2.1.02,6]decane;2-methyloxane;2-methyloxolane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane?
The canonical SMILES for 2,2-dimethyl-1-propan-2-yloxypropane;1-ethoxyadamantane;2-ethoxybicyclo[2.2.1]heptane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)bicyclo[2.2.1]heptane;8-(ethoxymethyl)tricyclo[5.2.1.02,6]decane;8-ethoxytricyclo[5.2.1.02,6]decane;2-methyloxane;2-methyloxolane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane is CC(C)OC1CCCC1.CC(C)OC1CCCCC1.CC(C)OCC(C)(C)C.CC(C)OCC1CCCC1.CC(C)OCC1CCCCC1.CC1CCCCO1.CC1CCCO1.CCOC12CC3CC(CC(C3)C1)C2.CCOC1CC2CC1C1CCCC21.CCOC1CC2CCC1C2.CCOCC12CC3CC(CC(C3)C1)C2.CCOCC1CC2CC1C1CCCC21.CCOCC1CC2CCC1C2.
What is the InChIKey of 2,2-dimethyl-1-propan-2-yloxypropane;1-ethoxyadamantane;2-ethoxybicyclo[2.2.1]heptane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)bicyclo[2.2.1]heptane;8-(ethoxymethyl)tricyclo[5.2.1.02,6]decane;8-ethoxytricyclo[5.2.1.02,6]decane;2-methyloxane;2-methyloxolane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane?
The InChIKey is BTQYKTWYDFQLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H22O.2C12H20O.C10H18O.C10H20O.C9H16O.2C9H18O.C8H16O.C8H18O.C6H12O.C5H10O/c1-2-14-9-13-6-10-3-11(7-13)5-12(4-10)8-13;1-2-14-8-10-6-9-7-13(10)12-5-3-4-11(9)12;1-2-13-12-6-9-3-10(7-12)5-11(4-9)8-12;1-2-13-12-7-8-6-11(12)10-5-3-4-9(8)10;1-2-11-7-10-6-8-3-4-9(10)5-8;1-9(2)11-8-10-6-4-3-5-7-10;1-2-10-9-6-7-3-4-8(9)5-7;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;1-6-4-2-3-5-7-6;1-5-3-2-4-6-5/h10-12H,2-9H2,1H3;9-13H,2-8H2,1H3;9-11H,2-8H2,1H3;8-12H,2-7H2,1H3;8-10H,2-7H2,1H3;9-10H,3-8H2,1-2H3;7-9H,2-6H2,1H3;2*8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,6H2,1-5H3;6H,2-5H2,1H3;5H,2-4H2,1H3.
What are the key properties of 2,2-dimethyl-1-propan-2-yloxypropane;1-ethoxyadamantane;2-ethoxybicyclo[2.2.1]heptane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)bicyclo[2.2.1]heptane;8-(ethoxymethyl)tricyclo[5.2.1.02,6]decane;8-ethoxytricyclo[5.2.1.02,6]decane;2-methyloxane;2-methyloxolane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane?
2,2-dimethyl-1-propan-2-yloxypropane;1-ethoxyadamantane;2-ethoxybicyclo[2.2.1]heptane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)bicyclo[2.2.1]heptane;8-(ethoxymethyl)tricyclo[5.2.1.02,6]decane;8-ethoxytricyclo[5.2.1.02,6]decane;2-methyloxane;2-methyloxolane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane has a molecular weight of 1929.19 g/mol, XLogP of 32.75, 27 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;1-ethoxyadamantane;2-ethoxybicyclo[2.2.1]heptane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)bicyclo[2.2.1]heptane;8-(ethoxymethyl)tricyclo[5.2.1.02,6]decane;8-ethoxytricyclo[5.2.1.02,6]decane;2-methyloxane;2-methyloxolane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane is sourced from PubChem (CID 157458690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).