2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole

C11H20O2 — CID 101128418

IUPAC2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
SMILESCC1(C)OC2CCCCCCC2O1
InChIInChI=1S/C11H20O2/c1-11(2)12-9-7-5-3-4-6-8-10(9)13-11/h9-10H,3-8H2,1-2H3
InChIKeyQISBNZYIFIHWCV-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.86
Rot. Bonds

About 2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole

2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole (PubChem CID 101128418) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole.

Molecular Properties

Compound Name2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
PubChem CID101128418
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
SMILESCC1(C)OC2CCCCCCC2O1
InChIInChI=1S/C11H20O2/c1-11(2)12-9-7-5-3-4-6-8-10(9)13-11/h9-10H,3-8H2,1-2H3
InChIKeyQISBNZYIFIHWCV-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole with MolForge

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Related Compounds

(1S,19S,23S,41S,45S,63S)-21,21,43,43,65,65-hexamethyl-8,12,20,22,30,34,42,44,52,56,64,66-dodecaoxatetracyclo[61.3.0.019,23.041,45]hexahexacontane-9,11,31,33,53,55-hexone
CID 71819205
(3aS,9aS)-2-(bromomethyl)-2-methyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 10587607
(3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
CID 89101057
(3aR,9aR)-6-(bromomethyl)-2,2-dimethyl-4,6,7,8,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-c]oxocine
CID 10989574
2,2-dimethyl-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]dioxine-4-carbaldehyde
CID 74396576
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CID 11322682
5-tert-butyl-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole
CID 135209925
3,3-dimethyl-2,17-dioxabicyclo[14.1.0]heptadecane
CID 123644180
(4aS,5aR,6S,9S,9aS,10aS)-6,9-bis(ethenyl)-5a,9a-dimethyl-1,2,3,4,4a,6,7,8,9,10a-decahydrodibenzo-p-dioxin
CID 11737483
(3aS,4R,5S,7aR)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-4,5-diol
CID 102460863
O-[(6R,10S)-8,8-dimethyl-20-methylsulfanylcarbothioyloxy-7,9-dioxatetracyclo[13.3.3.01,15.06,10]henicosan-17-yl] methylsulfanylmethanethioate
CID 10437094
4-[(2S)-but-3-en-2-yl]-6-cyclohexyl-2,2-dimethyl-1,3-dioxane
CID 89185143

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole?
The IUPAC name of 2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole (CID 101128418) is 2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole.
What is the SMILES notation for 2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole?
The canonical SMILES for 2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole is CC1(C)OC2CCCCCCC2O1.
What is the InChIKey of 2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole?
The InChIKey is QISBNZYIFIHWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-11(2)12-9-7-5-3-4-6-8-10(9)13-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole?
2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole has a molecular weight of 184.28 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole is sourced from PubChem (CID 101128418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).