(1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol

C10H16O3 — CID 11593551

IUPAC(1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol
SMILESO[C@H]1C[C@H]2CC[C@@H]1CC21OCCO1
InChIInChI=1S/C10H16O3/c11-9-5-8-2-1-7(9)6-10(8)12-3-4-13-10/h7-9,11H,1-6H2/t7-,8-,9+/m1/s1
InChIKeyOOERVIJAZNMVAY-HLTSFMKQSA-N
MW184.23 g/mol
LogP0.91
Rot. Bonds

About (1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol

(1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol (PubChem CID 11593551) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol.

Molecular Properties

Compound Name(1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol
PubChem CID11593551
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol
SMILESO[C@H]1C[C@H]2CC[C@@H]1CC21OCCO1
InChIInChI=1S/C10H16O3/c11-9-5-8-2-1-7(9)6-10(8)12-3-4-13-10/h7-9,11H,1-6H2/t7-,8-,9+/m1/s1
InChIKeyOOERVIJAZNMVAY-HLTSFMKQSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol with MolForge

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Related Compounds

ethyl (1'R,2'R,4'S)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-carboxylate
CID 21175471
(1'S,4'S)-5'-iodospiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
CID 166052318
spiro[1H-2-benzofuran-3,5'-bicyclo[2.2.2]octane]-2'-ol
CID 154062038
(1'S,2'R,5'R,6'R)-spiro[1,3-dioxolane-2,3'-tricyclo[4.2.1.02,5]nonane]-2'-ol
CID 10750394
(1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane]
CID 21116154
5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
CID 166816982
(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol
CID 130977943
2'-chlorospiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-carbonitrile
CID 134967360
(1R,2S,4S)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 124541868
(1S,2S,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol
CID 11887485
(1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol
CID 7164520
(1R,2'R,3S,4S)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
CID 167144751

Frequently Asked Questions

What is the IUPAC name of (1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol?
The IUPAC name of (1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol (CID 11593551) is (1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol.
What is the SMILES notation for (1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol?
The canonical SMILES for (1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol is O[C@H]1C[C@H]2CC[C@@H]1CC21OCCO1.
What is the InChIKey of (1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol?
The InChIKey is OOERVIJAZNMVAY-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H16O3/c11-9-5-8-2-1-7(9)6-10(8)12-3-4-13-10/h7-9,11H,1-6H2/t7-,8-,9+/m1/s1.
What are the key properties of (1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol?
(1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol has a molecular weight of 184.23 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol is sourced from PubChem (CID 11593551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).