(3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran

C17H24O5 — CID 14728347

IUPAC(3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
SMILESCO[C@@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C17H24O5/c1-11-13(19-10-12-8-6-5-7-9-12)14-15(16(18-4)20-11)22-17(2,3)21-14/h5-9,11,13-16H,10H2,1-4H3/t11-,13+,14+,15+,16+/m0/s1
InChIKeyWUHGTVIXLTZESM-CWCFIDOXSA-N
MW308.37 g/mol
LogP2.48
Rot. Bonds4

About (3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran

(3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran (PubChem CID 14728347) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is (3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran.

Molecular Properties

Compound Name(3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
PubChem CID14728347
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name(3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
SMILESCO[C@@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C17H24O5/c1-11-13(19-10-12-8-6-5-7-9-12)14-15(16(18-4)20-11)22-17(2,3)21-14/h5-9,11,13-16H,10H2,1-4H3/t11-,13+,14+,15+,16+/m0/s1
InChIKeyWUHGTVIXLTZESM-CWCFIDOXSA-N
XLogP2.48
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The IUPAC name of (3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran (CID 14728347) is (3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran.
What is the SMILES notation for (3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The canonical SMILES for (3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran is CO[C@@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of (3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The InChIKey is WUHGTVIXLTZESM-CWCFIDOXSA-N. The full InChI is InChI=1S/C17H24O5/c1-11-13(19-10-12-8-6-5-7-9-12)14-15(16(18-4)20-11)22-17(2,3)21-14/h5-9,11,13-16H,10H2,1-4H3/t11-,13+,14+,15+,16+/m0/s1.
What are the key properties of (3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
(3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran has a molecular weight of 308.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran is sourced from PubChem (CID 14728347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).