(3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1-ol

C15H26O3 — CID 10890465

IUPAC(3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1-ol
SMILESC[C@@H]1CC(O)[C@@]2(C)[C@H](C)C3(CC[C@@]12C)OCCO3
InChIInChI=1S/C15H26O3/c1-10-9-12(16)14(4)11(2)15(17-7-8-18-15)6-5-13(10,14)3/h10-12,16H,5-9H2,1-4H3/t10-,11+,12?,13+,14-/m1/s1
InChIKeyRISLFXHPLKEWPZ-XVKMIGGXSA-N
MW254.37 g/mol
LogP2.57
Rot. Bonds

About (3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1-ol

(3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1-ol (PubChem CID 10890465) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1-ol.

Molecular Properties

Compound Name(3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1-ol
PubChem CID10890465
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1-ol
SMILESC[C@@H]1CC(O)[C@@]2(C)[C@H](C)C3(CC[C@@]12C)OCCO3
InChIInChI=1S/C15H26O3/c1-10-9-12(16)14(4)11(2)15(17-7-8-18-15)6-5-13(10,14)3/h10-12,16H,5-9H2,1-4H3/t10-,11+,12?,13+,14-/m1/s1
InChIKeyRISLFXHPLKEWPZ-XVKMIGGXSA-N
XLogP2.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1-ol?
The IUPAC name of (3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1-ol (CID 10890465) is (3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1-ol.
What is the SMILES notation for (3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1-ol?
The canonical SMILES for (3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1-ol is C[C@@H]1CC(O)[C@@]2(C)[C@H](C)C3(CC[C@@]12C)OCCO3.
What is the InChIKey of (3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1-ol?
The InChIKey is RISLFXHPLKEWPZ-XVKMIGGXSA-N. The full InChI is InChI=1S/C15H26O3/c1-10-9-12(16)14(4)11(2)15(17-7-8-18-15)6-5-13(10,14)3/h10-12,16H,5-9H2,1-4H3/t10-,11+,12?,13+,14-/m1/s1.
What are the key properties of (3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1-ol?
(3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1-ol has a molecular weight of 254.37 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1-ol is sourced from PubChem (CID 10890465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).