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

C10H18O4 — CID 134986779

IUPAC(5R,6S,7S,7aR)-2,2,5,7-tetramethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6-ol
SMILESC[C@H]1[C@H](O)[C@@H](C)OC2OC(C)(C)O[C@@H]21
InChIInChI=1S/C10H18O4/c1-5-7(11)6(2)12-9-8(5)13-10(3,4)14-9/h5-9,11H,1-4H3/t5-,6+,7-,8+,9?/m0/s1
InChIKeyAOCTVVUCUGIPTM-WUQSDXJHSA-N
MW202.25 g/mol
LogP0.88
Rot. Bonds

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

(5R,6S,7S,7aR)-2,2,5,7-tetramethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6-ol (PubChem CID 134986779) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (5R,6S,7S,7aR)-2,2,5,7-tetramethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6-ol.

Molecular Properties

Compound Name(5R,6S,7S,7aR)-2,2,5,7-tetramethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6-ol
PubChem CID134986779
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(5R,6S,7S,7aR)-2,2,5,7-tetramethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6-ol
SMILESC[C@H]1[C@H](O)[C@@H](C)OC2OC(C)(C)O[C@@H]21
InChIInChI=1S/C10H18O4/c1-5-7(11)6(2)12-9-8(5)13-10(3,4)14-9/h5-9,11H,1-4H3/t5-,6+,7-,8+,9?/m0/s1
InChIKeyAOCTVVUCUGIPTM-WUQSDXJHSA-N
XLogP0.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R,6S,7S,7aR)-2,2,5,7-tetramethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,6S,7S,7aR)-2,2,5,7-tetramethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6-ol?
The IUPAC name of (5R,6S,7S,7aR)-2,2,5,7-tetramethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6-ol (CID 134986779) is (5R,6S,7S,7aR)-2,2,5,7-tetramethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6-ol.
What is the SMILES notation for (5R,6S,7S,7aR)-2,2,5,7-tetramethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6-ol?
The canonical SMILES for (5R,6S,7S,7aR)-2,2,5,7-tetramethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6-ol is C[C@H]1[C@H](O)[C@@H](C)OC2OC(C)(C)O[C@@H]21.
What is the InChIKey of (5R,6S,7S,7aR)-2,2,5,7-tetramethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6-ol?
The InChIKey is AOCTVVUCUGIPTM-WUQSDXJHSA-N. The full InChI is InChI=1S/C10H18O4/c1-5-7(11)6(2)12-9-8(5)13-10(3,4)14-9/h5-9,11H,1-4H3/t5-,6+,7-,8+,9?/m0/s1.
What are the key properties of (5R,6S,7S,7aR)-2,2,5,7-tetramethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6-ol?
(5R,6S,7S,7aR)-2,2,5,7-tetramethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6-ol has a molecular weight of 202.25 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,7S,7aR)-2,2,5,7-tetramethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6-ol is sourced from PubChem (CID 134986779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).