[(1R,3aS,7aR)-spiro[1,3,3a,4,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-1-yl]methanol

C12H18O3 — CID 10656062

IUPAC[(1R,3aS,7aR)-spiro[1,3,3a,4,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-1-yl]methanol
SMILESOC[C@H]1[C@@H]2CC=CC[C@H]2CC12OCCO2
InChIInChI=1S/C12H18O3/c13-8-11-10-4-2-1-3-9(10)7-12(11)14-5-6-15-12/h1-2,9-11,13H,3-8H2/t9-,10+,11-/m0/s1
InChIKeyPFUSXJCMAUVBJN-AXFHLTTASA-N
MW210.27 g/mol
LogP1.32
Rot. Bonds1

About [(1R,3aS,7aR)-spiro[1,3,3a,4,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-1-yl]methanol

[(1R,3aS,7aR)-spiro[1,3,3a,4,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-1-yl]methanol (PubChem CID 10656062) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is [(1R,3aS,7aR)-spiro[1,3,3a,4,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-1-yl]methanol.

Molecular Properties

Compound Name[(1R,3aS,7aR)-spiro[1,3,3a,4,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-1-yl]methanol
PubChem CID10656062
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name[(1R,3aS,7aR)-spiro[1,3,3a,4,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-1-yl]methanol
SMILESOC[C@H]1[C@@H]2CC=CC[C@H]2CC12OCCO2
InChIInChI=1S/C12H18O3/c13-8-11-10-4-2-1-3-9(10)7-12(11)14-5-6-15-12/h1-2,9-11,13H,3-8H2/t9-,10+,11-/m0/s1
InChIKeyPFUSXJCMAUVBJN-AXFHLTTASA-N
XLogP1.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,3aS,7aR)-spiro[1,3,3a,4,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-1-yl]methanol?
The IUPAC name of [(1R,3aS,7aR)-spiro[1,3,3a,4,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-1-yl]methanol (CID 10656062) is [(1R,3aS,7aR)-spiro[1,3,3a,4,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-1-yl]methanol.
What is the SMILES notation for [(1R,3aS,7aR)-spiro[1,3,3a,4,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-1-yl]methanol?
The canonical SMILES for [(1R,3aS,7aR)-spiro[1,3,3a,4,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-1-yl]methanol is OC[C@H]1[C@@H]2CC=CC[C@H]2CC12OCCO2.
What is the InChIKey of [(1R,3aS,7aR)-spiro[1,3,3a,4,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-1-yl]methanol?
The InChIKey is PFUSXJCMAUVBJN-AXFHLTTASA-N. The full InChI is InChI=1S/C12H18O3/c13-8-11-10-4-2-1-3-9(10)7-12(11)14-5-6-15-12/h1-2,9-11,13H,3-8H2/t9-,10+,11-/m0/s1.
What are the key properties of [(1R,3aS,7aR)-spiro[1,3,3a,4,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-1-yl]methanol?
[(1R,3aS,7aR)-spiro[1,3,3a,4,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-1-yl]methanol has a molecular weight of 210.27 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3aS,7aR)-spiro[1,3,3a,4,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-1-yl]methanol is sourced from PubChem (CID 10656062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).