(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

C15H24O6 — CID 135012622

IUPAC(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESC=C1COC(C)(C)O[C@H]1[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC
InChIInChI=1S/C15H24O6/c1-8-7-17-14(2,3)19-9(8)11-10(16-6)12-13(18-11)21-15(4,5)20-12/h9-13H,1,7H2,2-6H3/t9-,10+,11-,12-,13-/m1/s1
InChIKeyVLHJXNJAYFRHRZ-NZEXEKPDSA-N
MW300.35 g/mol
LogP1.59
Rot. Bonds2

About (3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 135012622) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID135012622
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESC=C1COC(C)(C)O[C@H]1[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC
InChIInChI=1S/C15H24O6/c1-8-7-17-14(2,3)19-9(8)11-10(16-6)12-13(18-11)21-15(4,5)20-12/h9-13H,1,7H2,2-6H3/t9-,10+,11-,12-,13-/m1/s1
InChIKeyVLHJXNJAYFRHRZ-NZEXEKPDSA-N
XLogP1.59
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 135012622) is (3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is C=C1COC(C)(C)O[C@H]1[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC.
What is the InChIKey of (3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is VLHJXNJAYFRHRZ-NZEXEKPDSA-N. The full InChI is InChI=1S/C15H24O6/c1-8-7-17-14(2,3)19-9(8)11-10(16-6)12-13(18-11)21-15(4,5)20-12/h9-13H,1,7H2,2-6H3/t9-,10+,11-,12-,13-/m1/s1.
What are the key properties of (3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 300.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 135012622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).