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

C11H18O2 — CID 172759847

IUPAC2,2-dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole
SMILESCC1(C)OC2=CCCCCCC2O1
InChIInChI=1S/C11H18O2/c1-11(2)12-9-7-5-3-4-6-8-10(9)13-11/h7,10H,3-6,8H2,1-2H3
InChIKeyLNKOQYFWMKYGEE-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.99
Rot. Bonds

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

2,2-dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole (PubChem CID 172759847) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2,2-dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole.

Molecular Properties

Compound Name2,2-dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole
PubChem CID172759847
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2,2-dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole
SMILESCC1(C)OC2=CCCCCCC2O1
InChIInChI=1S/C11H18O2/c1-11(2)12-9-7-5-3-4-6-8-10(9)13-11/h7,10H,3-6,8H2,1-2H3
InChIKeyLNKOQYFWMKYGEE-UHFFFAOYSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3a,4,5,6-tetrahydro-1,3-benzodioxole
CID 71343182
2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole
CID 69011749
2,3,4,5,6,7,7a,8,9,10-decahydro-1-benzoxonine
CID 134539334
(6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione
CID 134873151
(1Z)-16-oxabicyclo[13.2.0]heptadec-1-en-17-one
CID 24771963
17-oxabicyclo[14.2.0]octadec-1-en-18-one
CID 91494984
2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 101128418
(1E)-1-cyclohexylcyclododecene
CID 139760943
(1E)-1-cyclohexylcyclodecene
CID 139760930
(8R)-1,8-dibromocyclooctene
CID 129408234
2-cyclopentyl-2,3,3,4,4,4a-hexamethyl-6,7-dihydro-5H-chromene
CID 170552728
tricyclo[9.7.0.02,10]octadeca-1(18),2-diene
CID 158410257

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole?
The IUPAC name of 2,2-dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole (CID 172759847) is 2,2-dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole.
What is the SMILES notation for 2,2-dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole?
The canonical SMILES for 2,2-dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole is CC1(C)OC2=CCCCCCC2O1.
What is the InChIKey of 2,2-dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole?
The InChIKey is LNKOQYFWMKYGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(2)12-9-7-5-3-4-6-8-10(9)13-11/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 2,2-dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole?
2,2-dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole has a molecular weight of 182.26 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole is sourced from PubChem (CID 172759847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).