(3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol

C11H18O3 — CID 100984466

IUPAC(3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol
SMILESO[C@@]12CCC[C@@H]1CCCC21OCCO1
InChIInChI=1S/C11H18O3/c12-10-5-1-3-9(10)4-2-6-11(10)13-7-8-14-11/h9,12H,1-8H2/t9-,10+/m1/s1
InChIKeyWPIKJXGSBFGOOG-ZJUUUORDSA-N
MW198.26 g/mol
LogP1.44
Rot. Bonds

About (3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol

(3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol (PubChem CID 100984466) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol.

Molecular Properties

Compound Name(3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol
PubChem CID100984466
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol
SMILESO[C@@]12CCC[C@@H]1CCCC21OCCO1
InChIInChI=1S/C11H18O3/c12-10-5-1-3-9(10)4-2-6-11(10)13-7-8-14-11/h9,12H,1-8H2/t9-,10+/m1/s1
InChIKeyWPIKJXGSBFGOOG-ZJUUUORDSA-N
XLogP1.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol?
The IUPAC name of (3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol (CID 100984466) is (3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol.
What is the SMILES notation for (3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol?
The canonical SMILES for (3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol is O[C@@]12CCC[C@@H]1CCCC21OCCO1.
What is the InChIKey of (3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol?
The InChIKey is WPIKJXGSBFGOOG-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H18O3/c12-10-5-1-3-9(10)4-2-6-11(10)13-7-8-14-11/h9,12H,1-8H2/t9-,10+/m1/s1.
What are the key properties of (3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol?
(3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol has a molecular weight of 198.26 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol is sourced from PubChem (CID 100984466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).