(3aR,5'R,6R,7aS)-5'-ethyl-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxane]

C14H24O4 — CID 14659979

IUPAC(3aR,5'R,6R,7aS)-5'-ethyl-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxane]
SMILESCC[C@@H]1CC[C@@]2(C[C@@H]3OC(C)(C)O[C@@H]3CO2)OC1
InChIInChI=1S/C14H24O4/c1-4-10-5-6-14(15-8-10)7-11-12(9-16-14)18-13(2,3)17-11/h10-12H,4-9H2,1-3H3/t10-,11+,12-,14-/m1/s1
InChIKeyMSFJTQDTHNPFSZ-GFQSEFKGSA-N
MW256.34 g/mol
LogP2.46
Rot. Bonds1

About (3aR,5'R,6R,7aS)-5'-ethyl-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxane]

(3aR,5'R,6R,7aS)-5'-ethyl-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxane] (PubChem CID 14659979) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (3aR,5'R,6R,7aS)-5'-ethyl-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxane].

Molecular Properties

Compound Name(3aR,5'R,6R,7aS)-5'-ethyl-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxane]
PubChem CID14659979
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(3aR,5'R,6R,7aS)-5'-ethyl-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxane]
SMILESCC[C@@H]1CC[C@@]2(C[C@@H]3OC(C)(C)O[C@@H]3CO2)OC1
InChIInChI=1S/C14H24O4/c1-4-10-5-6-14(15-8-10)7-11-12(9-16-14)18-13(2,3)17-11/h10-12H,4-9H2,1-3H3/t10-,11+,12-,14-/m1/s1
InChIKeyMSFJTQDTHNPFSZ-GFQSEFKGSA-N
XLogP2.46
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,5'R,6R,7aS)-5'-ethyl-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxane] with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,5'R,6R,7aS)-5'-ethyl-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxane]?
The IUPAC name of (3aR,5'R,6R,7aS)-5'-ethyl-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxane] (CID 14659979) is (3aR,5'R,6R,7aS)-5'-ethyl-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxane].
What is the SMILES notation for (3aR,5'R,6R,7aS)-5'-ethyl-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxane]?
The canonical SMILES for (3aR,5'R,6R,7aS)-5'-ethyl-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxane] is CC[C@@H]1CC[C@@]2(C[C@@H]3OC(C)(C)O[C@@H]3CO2)OC1.
What is the InChIKey of (3aR,5'R,6R,7aS)-5'-ethyl-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxane]?
The InChIKey is MSFJTQDTHNPFSZ-GFQSEFKGSA-N. The full InChI is InChI=1S/C14H24O4/c1-4-10-5-6-14(15-8-10)7-11-12(9-16-14)18-13(2,3)17-11/h10-12H,4-9H2,1-3H3/t10-,11+,12-,14-/m1/s1.
What are the key properties of (3aR,5'R,6R,7aS)-5'-ethyl-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxane]?
(3aR,5'R,6R,7aS)-5'-ethyl-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxane] has a molecular weight of 256.34 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5'R,6R,7aS)-5'-ethyl-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxane] is sourced from PubChem (CID 14659979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).