(1'S,2'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-ol

C12H20O3 — CID 22216407

IUPAC(1'S,2'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-ol
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@@H](O)C21OCCO1
InChIInChI=1S/C12H20O3/c1-10(2)8-4-5-11(10,3)9(13)12(8)14-6-7-15-12/h8-9,13H,4-7H2,1-3H3/t8-,9-,11-/m1/s1
InChIKeyDKGQGPJMCDDSPT-FXPVBKGRSA-N
MW212.29 g/mol
LogP1.55
Rot. Bonds

About (1'S,2'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-ol

(1'S,2'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-ol (PubChem CID 22216407) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (1'S,2'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-ol.

Molecular Properties

Compound Name(1'S,2'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-ol
PubChem CID22216407
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(1'S,2'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-ol
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@@H](O)C21OCCO1
InChIInChI=1S/C12H20O3/c1-10(2)8-4-5-11(10,3)9(13)12(8)14-6-7-15-12/h8-9,13H,4-7H2,1-3H3/t8-,9-,11-/m1/s1
InChIKeyDKGQGPJMCDDSPT-FXPVBKGRSA-N
XLogP1.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1'S,2'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-ol with MolForge

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Related Compounds

1,2,3,3,7,7-hexamethylbicyclo[2.2.1]heptane
CID 123819480
(7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 135272503
(1S,2R,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-ol
CID 131203528
(1'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]
CID 134875237
(3S)-2-methyloxolane-2,3-diol
CID 134855830
5,5-dimethyloxolan-2-ol;ethane
CID 142894626
ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 143931263
(1'R,2'S,4'aS,8'aS)-1'-(hydroxymethyl)-1',4'a-dimethylspiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-2H-naphthalene]-2'-ol
CID 10516210
lithium (E)-3-methyl-1-[(1'R,2'S,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-yl]oxybut-1-en-1-olate
CID 23716496
(4R,5R,10R,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol
CID 11514035
(3R)-2,2-dimethyloxolan-3-ol
CID 13327311
(1R,3aR,5S,7aS)-1,4,4,7a-tetramethyl-2,3,3a,5,6,7-hexahydroindene-1,5-diol
CID 10703779

Frequently Asked Questions

What is the IUPAC name of (1'S,2'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-ol?
The IUPAC name of (1'S,2'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-ol (CID 22216407) is (1'S,2'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-ol.
What is the SMILES notation for (1'S,2'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-ol?
The canonical SMILES for (1'S,2'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-ol is CC1(C)[C@H]2CC[C@]1(C)[C@@H](O)C21OCCO1.
What is the InChIKey of (1'S,2'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-ol?
The InChIKey is DKGQGPJMCDDSPT-FXPVBKGRSA-N. The full InChI is InChI=1S/C12H20O3/c1-10(2)8-4-5-11(10,3)9(13)12(8)14-6-7-15-12/h8-9,13H,4-7H2,1-3H3/t8-,9-,11-/m1/s1.
What are the key properties of (1'S,2'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-ol?
(1'S,2'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-ol has a molecular weight of 212.29 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-ol is sourced from PubChem (CID 22216407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).