(1'R,3'R,5'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol

C9H14O3 — CID 67199513

IUPAC(1'R,3'R,5'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol
SMILESO[C@@H]1C[C@@H]2CC3(OCCO3)[C@@H]2C1
InChIInChI=1S/C9H14O3/c10-7-3-6-5-9(8(6)4-7)11-1-2-12-9/h6-8,10H,1-5H2/t6-,7-,8-/m1/s1
InChIKeyXVSPKIVWHJLOIJ-BWZBUEFSSA-N
MW170.21 g/mol
LogP0.52
Rot. Bonds

About (1'R,3'R,5'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol

(1'R,3'R,5'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol (PubChem CID 67199513) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (1'R,3'R,5'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol.

Molecular Properties

Compound Name(1'R,3'R,5'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol
PubChem CID67199513
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(1'R,3'R,5'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol
SMILESO[C@@H]1C[C@@H]2CC3(OCCO3)[C@@H]2C1
InChIInChI=1S/C9H14O3/c10-7-3-6-5-9(8(6)4-7)11-1-2-12-9/h6-8,10H,1-5H2/t6-,7-,8-/m1/s1
InChIKeyXVSPKIVWHJLOIJ-BWZBUEFSSA-N
XLogP0.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1'R,3'R,5'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Dioxaspiro[4.4]nonane, 7,8-bis(hydroxymethyl)-
CID 593822
(1'R,2'R,4'S,6'R)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.2.0.02,4]octane]
CID 12581318
Cyclopentane, 1-(S)-(2-methyl-1,3-dioxolan-2-yl)-2-(R)-(2-hydroxyethyl)-4-(R)-(2-methoxyethoxymethoxy)-
CID 560113
Spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.2.0.02,4]octane]
CID 12581317
(1'R,2'S,4'R,6'R)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.2.0.02,4]octane]
CID 12581319
2'-Bromospiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol
CID 12581327
(1'R,2'S,3'S,5'R)-2'-bromospiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol
CID 12581328
2'-Butylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol
CID 12581341
rel-((7R,8R)-1,4-Dioxaspiro[4.4]nonane-7,8-diyl)dimethanol
CID 13235312
((7R,8S)-8-hydroxymethyl-1,4-dioxa-spiro[4.4]non-7-yl)-methanol
CID 13235313
3'-(3-Hydroxybutyl)spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-ol
CID 20259322
3'-(3-Hydroxyhexyl)spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-ol
CID 20259352

Frequently Asked Questions

What is the IUPAC name of (1'R,3'R,5'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol?
The IUPAC name of (1'R,3'R,5'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol (CID 67199513) is (1'R,3'R,5'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol.
What is the SMILES notation for (1'R,3'R,5'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol?
The canonical SMILES for (1'R,3'R,5'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol is O[C@@H]1C[C@@H]2CC3(OCCO3)[C@@H]2C1.
What is the InChIKey of (1'R,3'R,5'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol?
The InChIKey is XVSPKIVWHJLOIJ-BWZBUEFSSA-N. The full InChI is InChI=1S/C9H14O3/c10-7-3-6-5-9(8(6)4-7)11-1-2-12-9/h6-8,10H,1-5H2/t6-,7-,8-/m1/s1.
What are the key properties of (1'R,3'R,5'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol?
(1'R,3'R,5'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol has a molecular weight of 170.21 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,3'R,5'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol is sourced from PubChem (CID 67199513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).