8-methylspiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]

C14H22O2 — CID 118688937

IUPAC8-methylspiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]
SMILESCC1CC2CC1C1OC3(CCCCC3)OC21
InChIInChI=1S/C14H22O2/c1-9-7-10-8-11(9)13-12(10)15-14(16-13)5-3-2-4-6-14/h9-13H,2-8H2,1H3
InChIKeyAAGKROSVRIQSQD-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.11
Rot. Bonds

About 8-methylspiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]

8-methylspiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane] (PubChem CID 118688937) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 8-methylspiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane].

Molecular Properties

Compound Name8-methylspiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]
PubChem CID118688937
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name8-methylspiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]
SMILESCC1CC2CC1C1OC3(CCCCC3)OC21
InChIInChI=1S/C14H22O2/c1-9-7-10-8-11(9)13-12(10)15-14(16-13)5-3-2-4-6-14/h9-13H,2-8H2,1H3
InChIKeyAAGKROSVRIQSQD-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-methylspiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane] with MolForge

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Related Compounds

8-(2-Bromo-2,2-difluoroethyl)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 117734121
8-(1,1,2,2-Tetrafluoropropyl)spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]
CID 155401772
Lithium 4-ethyl-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 135050662
4-Ethyl-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 73819666
4,4-Dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 12513636
5',6'-Dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
CID 20762817
4,5-Dimethyl-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-11-one
CID 20762824
(3aR,4R,6R,6aR)-5-cyclopentyl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
CID 57587434
10,12-Dioxatetracyclo[6.5.1.02,7.09,13]tetradecan-11-one
CID 68020703
8-Ethyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 68272938
4-Ethyl-4,8,9-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 71126793
2-[[5,6-Dimethyl-3-(oxolan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]oxy]oxolane
CID 71217161

Frequently Asked Questions

What is the IUPAC name of 8-methylspiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]?
The IUPAC name of 8-methylspiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane] (CID 118688937) is 8-methylspiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane].
What is the SMILES notation for 8-methylspiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]?
The canonical SMILES for 8-methylspiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane] is CC1CC2CC1C1OC3(CCCCC3)OC21.
What is the InChIKey of 8-methylspiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]?
The InChIKey is AAGKROSVRIQSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-9-7-10-8-11(9)13-12(10)15-14(16-13)5-3-2-4-6-14/h9-13H,2-8H2,1H3.
What are the key properties of 8-methylspiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]?
8-methylspiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane] has a molecular weight of 222.33 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylspiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane] is sourced from PubChem (CID 118688937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).