(4R,5R)-1',4,5-trimethylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.0]heptane]

C12H20O2 — CID 10535900

IUPAC(4R,5R)-1',4,5-trimethylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.0]heptane]
SMILESC[C@H]1OC2(CCC3(C)CCC32)O[C@@H]1C
InChIInChI=1S/C12H20O2/c1-8-9(2)14-12(13-8)7-6-11(3)5-4-10(11)12/h8-10H,4-7H2,1-3H3/t8-,9-,10?,11?/m1/s1
InChIKeySXYAEDZLLAJAAV-NKVNRFPTSA-N
MW196.29 g/mol
LogP2.72
Rot. Bonds

About (4R,5R)-1',4,5-trimethylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.0]heptane]

(4R,5R)-1',4,5-trimethylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.0]heptane] (PubChem CID 10535900) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (4R,5R)-1',4,5-trimethylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.0]heptane].

Molecular Properties

Compound Name(4R,5R)-1',4,5-trimethylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.0]heptane]
PubChem CID10535900
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(4R,5R)-1',4,5-trimethylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.0]heptane]
SMILESC[C@H]1OC2(CCC3(C)CCC32)O[C@@H]1C
InChIInChI=1S/C12H20O2/c1-8-9(2)14-12(13-8)7-6-11(3)5-4-10(11)12/h8-10H,4-7H2,1-3H3/t8-,9-,10?,11?/m1/s1
InChIKeySXYAEDZLLAJAAV-NKVNRFPTSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,5R)-1',4,5-trimethylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.0]heptane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1',4,5-trimethylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.0]heptane]?
The IUPAC name of (4R,5R)-1',4,5-trimethylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.0]heptane] (CID 10535900) is (4R,5R)-1',4,5-trimethylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.0]heptane].
What is the SMILES notation for (4R,5R)-1',4,5-trimethylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.0]heptane]?
The canonical SMILES for (4R,5R)-1',4,5-trimethylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.0]heptane] is C[C@H]1OC2(CCC3(C)CCC32)O[C@@H]1C.
What is the InChIKey of (4R,5R)-1',4,5-trimethylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.0]heptane]?
The InChIKey is SXYAEDZLLAJAAV-NKVNRFPTSA-N. The full InChI is InChI=1S/C12H20O2/c1-8-9(2)14-12(13-8)7-6-11(3)5-4-10(11)12/h8-10H,4-7H2,1-3H3/t8-,9-,10?,11?/m1/s1.
What are the key properties of (4R,5R)-1',4,5-trimethylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.0]heptane]?
(4R,5R)-1',4,5-trimethylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.0]heptane] has a molecular weight of 196.29 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1',4,5-trimethylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.0]heptane] is sourced from PubChem (CID 10535900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).