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

C11H20O4 — CID 135036297

IUPAC(4R,7S)-4-methoxy-2,2,6,7-tetramethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
SMILESCO[C@@H]1OC(C)[C@H](C)C2OC(C)(C)OC21
InChIInChI=1S/C11H20O4/c1-6-7(2)13-10(12-5)9-8(6)14-11(3,4)15-9/h6-10H,1-5H3/t6-,7?,8?,9?,10+/m0/s1
InChIKeyOBWAYKDNXZQABQ-HRLXQSQDSA-N
MW216.28 g/mol
LogP1.53
Rot. Bonds1

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

(4R,7S)-4-methoxy-2,2,6,7-tetramethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran (PubChem CID 135036297) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (4R,7S)-4-methoxy-2,2,6,7-tetramethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran.

Molecular Properties

Compound Name(4R,7S)-4-methoxy-2,2,6,7-tetramethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
PubChem CID135036297
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(4R,7S)-4-methoxy-2,2,6,7-tetramethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
SMILESCO[C@@H]1OC(C)[C@H](C)C2OC(C)(C)OC21
InChIInChI=1S/C11H20O4/c1-6-7(2)13-10(12-5)9-8(6)14-11(3,4)15-9/h6-10H,1-5H3/t6-,7?,8?,9?,10+/m0/s1
InChIKeyOBWAYKDNXZQABQ-HRLXQSQDSA-N
XLogP1.53
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,7S)-4-methoxy-2,2,6,7-tetramethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The IUPAC name of (4R,7S)-4-methoxy-2,2,6,7-tetramethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran (CID 135036297) is (4R,7S)-4-methoxy-2,2,6,7-tetramethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran.
What is the SMILES notation for (4R,7S)-4-methoxy-2,2,6,7-tetramethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The canonical SMILES for (4R,7S)-4-methoxy-2,2,6,7-tetramethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran is CO[C@@H]1OC(C)[C@H](C)C2OC(C)(C)OC21.
What is the InChIKey of (4R,7S)-4-methoxy-2,2,6,7-tetramethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The InChIKey is OBWAYKDNXZQABQ-HRLXQSQDSA-N. The full InChI is InChI=1S/C11H20O4/c1-6-7(2)13-10(12-5)9-8(6)14-11(3,4)15-9/h6-10H,1-5H3/t6-,7?,8?,9?,10+/m0/s1.
What are the key properties of (4R,7S)-4-methoxy-2,2,6,7-tetramethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
(4R,7S)-4-methoxy-2,2,6,7-tetramethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran has a molecular weight of 216.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7S)-4-methoxy-2,2,6,7-tetramethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran is sourced from PubChem (CID 135036297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).