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

C15H26O2 — CID 10988345

IUPAC(3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]
SMILESC[C@@H]1CC[C@@]2(C)[C@H](C)C3(CC[C@@]12C)OCCO3
InChIInChI=1S/C15H26O2/c1-11-5-6-14(4)12(2)15(16-9-10-17-15)8-7-13(11,14)3/h11-12H,5-10H2,1-4H3/t11-,12+,13+,14+/m1/s1
InChIKeyMCOPOIJNZVMJCQ-RFGFWPKPSA-N
MW238.37 g/mol
LogP3.60
Rot. Bonds

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

(3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane] (PubChem CID 10988345) has the molecular formula C15H26O2 and a molecular weight of 238.37 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].

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]
PubChem CID10988345
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]
SMILESC[C@@H]1CC[C@@]2(C)[C@H](C)C3(CC[C@@]12C)OCCO3
InChIInChI=1S/C15H26O2/c1-11-5-6-14(4)12(2)15(16-9-10-17-15)8-7-13(11,14)3/h11-12H,5-10H2,1-4H3/t11-,12+,13+,14+/m1/s1
InChIKeyMCOPOIJNZVMJCQ-RFGFWPKPSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane] 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]?
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] (CID 10988345) is (3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane].
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]?
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] is C[C@@H]1CC[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]?
The InChIKey is MCOPOIJNZVMJCQ-RFGFWPKPSA-N. The full InChI is InChI=1S/C15H26O2/c1-11-5-6-14(4)12(2)15(16-9-10-17-15)8-7-13(11,14)3/h11-12H,5-10H2,1-4H3/t11-,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]?
(3R,3aS,7S,7aS)-3,3a,7,7a-tetramethylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane] has a molecular weight of 238.37 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 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] is sourced from PubChem (CID 10988345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).