spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,2'-1,3-dioxolane]

C11H18O2 — CID 21358814

IUPACspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,2'-1,3-dioxolane]
SMILESC1CCC2CC3(CC2C1)OCCO3
InChIInChI=1S/C11H18O2/c1-2-4-10-8-11(7-9(10)3-1)12-5-6-13-11/h9-10H,1-8H2
InChIKeyYXSUHXXEFYSQCJ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.33
Rot. Bonds

About spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,2'-1,3-dioxolane]

spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,2'-1,3-dioxolane] (PubChem CID 21358814) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,2'-1,3-dioxolane].

Molecular Properties

Compound Namespiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,2'-1,3-dioxolane]
PubChem CID21358814
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namespiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,2'-1,3-dioxolane]
SMILESC1CCC2CC3(CC2C1)OCCO3
InChIInChI=1S/C11H18O2/c1-2-4-10-8-11(7-9(10)3-1)12-5-6-13-11/h9-10H,1-8H2
InChIKeyYXSUHXXEFYSQCJ-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,2'-1,3-dioxolane]?
The IUPAC name of spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,2'-1,3-dioxolane] (CID 21358814) is spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,2'-1,3-dioxolane].
What is the SMILES notation for spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,2'-1,3-dioxolane]?
The canonical SMILES for spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,2'-1,3-dioxolane] is C1CCC2CC3(CC2C1)OCCO3.
What is the InChIKey of spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,2'-1,3-dioxolane]?
The InChIKey is YXSUHXXEFYSQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-4-10-8-11(7-9(10)3-1)12-5-6-13-11/h9-10H,1-8H2.
What are the key properties of spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,2'-1,3-dioxolane]?
spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,2'-1,3-dioxolane] has a molecular weight of 182.26 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,2'-1,3-dioxolane] is sourced from PubChem (CID 21358814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).