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

C12H22O2 — CID 177293546

IUPAC2-propan-2-yl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
SMILESCC(C)C1OC2CCCCCCC2O1
InChIInChI=1S/C12H22O2/c1-9(2)12-13-10-7-5-3-4-6-8-11(10)14-12/h9-12H,3-8H2,1-2H3
InChIKeyAZVWQRAZNIZVET-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.11
Rot. Bonds1

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

2-propan-2-yl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole (PubChem CID 177293546) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-propan-2-yl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole.

Molecular Properties

Compound Name2-propan-2-yl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
PubChem CID177293546
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-propan-2-yl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
SMILESCC(C)C1OC2CCCCCCC2O1
InChIInChI=1S/C12H22O2/c1-9(2)12-13-10-7-5-3-4-6-8-11(10)14-12/h9-12H,3-8H2,1-2H3
InChIKeyAZVWQRAZNIZVET-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

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CID 66916406
7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 88907444
(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 122419523
25-oxabicyclo[22.1.0]pentacosane
CID 156633217
ethane;7-oxabicyclo[4.1.0]heptane
CID 91307792
(1S,6R)-7-oxabicyclo[4.1.0]heptane
CID 637978
methane;propan-2-ylcyclotetradecane
CID 159882779
ethane;methane;propan-2-ylcyclohexane
CID 169430642
sodium;hydride;7-oxabicyclo[4.1.0]heptane
CID 173104764
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
benzene;propan-2-ylcyclohexane
CID 163364158

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole?
The IUPAC name of 2-propan-2-yl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole (CID 177293546) is 2-propan-2-yl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole.
What is the SMILES notation for 2-propan-2-yl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole?
The canonical SMILES for 2-propan-2-yl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole is CC(C)C1OC2CCCCCCC2O1.
What is the InChIKey of 2-propan-2-yl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole?
The InChIKey is AZVWQRAZNIZVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(2)12-13-10-7-5-3-4-6-8-11(10)14-12/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole?
2-propan-2-yl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole has a molecular weight of 198.31 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole is sourced from PubChem (CID 177293546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).