spiro[1,3-dioxolane-2,3'-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-triene]

C12H12O2 — CID 102594947

IUPACspiro[1,3-dioxolane-2,3'-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-triene]
SMILESc1cc2c(c3c1CC3)C1(C2)OCCO1
InChIInChI=1S/C12H12O2/c1-2-9-7-12(13-5-6-14-12)11(9)10-4-3-8(1)10/h1-2H,3-7H2
InChIKeyHKHWQJSCDWVTJP-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.54
Rot. Bonds

About spiro[1,3-dioxolane-2,3'-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-triene]

spiro[1,3-dioxolane-2,3'-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-triene] (PubChem CID 102594947) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,3'-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-triene].

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,3'-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-triene]
PubChem CID102594947
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Namespiro[1,3-dioxolane-2,3'-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-triene]
SMILESc1cc2c(c3c1CC3)C1(C2)OCCO1
InChIInChI=1S/C12H12O2/c1-2-9-7-12(13-5-6-14-12)11(9)10-4-3-8(1)10/h1-2H,3-7H2
InChIKeyHKHWQJSCDWVTJP-UHFFFAOYSA-N
XLogP1.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze spiro[1,3-dioxolane-2,3'-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-triene] with MolForge

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Related Compounds

carbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene]
CID 11986145
bromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 91179603
spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbaldehyde
CID 74892498
(3-bromo-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-trimethylsilane
CID 154480623
spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]
CID 20703604
9,9-difluoro-10-methyl-1,2,3,4,5,8-hexahydrocyclopenta[i][3]benzazepin-10-ol
CID 141413234
3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 22102252
CID 11673102
CID 11673102
5-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 69199578
2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane
CID 82126227
3'-iodospiro[1,3-dioxolane-2,1'-indene]
CID 138965819
2-ethynylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 23374754

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,3'-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-triene]?
The IUPAC name of spiro[1,3-dioxolane-2,3'-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-triene] (CID 102594947) is spiro[1,3-dioxolane-2,3'-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-triene].
What is the SMILES notation for spiro[1,3-dioxolane-2,3'-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-triene]?
The canonical SMILES for spiro[1,3-dioxolane-2,3'-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-triene] is c1cc2c(c3c1CC3)C1(C2)OCCO1.
What is the InChIKey of spiro[1,3-dioxolane-2,3'-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-triene]?
The InChIKey is HKHWQJSCDWVTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-2-9-7-12(13-5-6-14-12)11(9)10-4-3-8(1)10/h1-2H,3-7H2.
What are the key properties of spiro[1,3-dioxolane-2,3'-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-triene]?
spiro[1,3-dioxolane-2,3'-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-triene] has a molecular weight of 188.23 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,3'-tricyclo[6.2.0.02,5]deca-1(8),2(5),6-triene] is sourced from PubChem (CID 102594947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).