(2E)-2-[(4aR,6S,8R,8aS)-6-methoxy-2,2-dimethyl-8-phenylmethoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-ylidene]ethanol

C19H26O6 — CID 11046334

IUPAC(2E)-2-[(4aR,6S,8R,8aS)-6-methoxy-2,2-dimethyl-8-phenylmethoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-ylidene]ethanol
SMILESCO[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](OCc2ccccc2)/C1=C\CO
InChIInChI=1S/C19H26O6/c1-19(2)23-12-15-17(25-19)16(14(9-10-20)18(21-3)24-15)22-11-13-7-5-4-6-8-13/h4-9,15-18,20H,10-12H2,1-3H3/b14-9+/t15-,16-,17-,18+/m1/s1
InChIKeyWQSVZSLYIWCACW-FCHQSTINSA-N
MW350.41 g/mol
LogP2.01
Rot. Bonds5

About (2E)-2-[(4aR,6S,8R,8aS)-6-methoxy-2,2-dimethyl-8-phenylmethoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-ylidene]ethanol

(2E)-2-[(4aR,6S,8R,8aS)-6-methoxy-2,2-dimethyl-8-phenylmethoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-ylidene]ethanol (PubChem CID 11046334) has the molecular formula C19H26O6 and a molecular weight of 350.41 g/mol. Its IUPAC name is (2E)-2-[(4aR,6S,8R,8aS)-6-methoxy-2,2-dimethyl-8-phenylmethoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-ylidene]ethanol.

Molecular Properties

Compound Name(2E)-2-[(4aR,6S,8R,8aS)-6-methoxy-2,2-dimethyl-8-phenylmethoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-ylidene]ethanol
PubChem CID11046334
Molecular FormulaC19H26O6
Molecular Weight350.41 g/mol
Exact Mass350.17
IUPAC Name(2E)-2-[(4aR,6S,8R,8aS)-6-methoxy-2,2-dimethyl-8-phenylmethoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-ylidene]ethanol
SMILESCO[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](OCc2ccccc2)/C1=C\CO
InChIInChI=1S/C19H26O6/c1-19(2)23-12-15-17(25-19)16(14(9-10-20)18(21-3)24-15)22-11-13-7-5-4-6-8-13/h4-9,15-18,20H,10-12H2,1-3H3/b14-9+/t15-,16-,17-,18+/m1/s1
InChIKeyWQSVZSLYIWCACW-FCHQSTINSA-N
XLogP2.01
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2E)-2-[(4aR,6S,8R,8aS)-6-methoxy-2,2-dimethyl-8-phenylmethoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-ylidene]ethanol with MolForge

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Related Compounds

(4aR,7R,8S,8aR)-2,2-dimethyl-6,7,8-tris(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 166514231
4,12,12-trimethyl-7-phenylmethoxy-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 123547448
7-amino-2,2-dimethyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 12840404
(8S,8aR)-2,2-dimethyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 66677124
(3aR,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 45048567
N-[(4aR,6R,7R,8S,8aR)-7-hydroxy-2,2-dimethyl-6,8-bis(phenylmethoxy)-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 54169412
1-[(1S,3R,8S,9R,10R,11S,16S)-6,6,12,12-tetramethyl-9-phenylmethoxy-2,5,7,17-tetraoxatetracyclo[8.7.0.03,8.011,16]heptadec-13-en-14-yl]ethanone
CID 10928358
(1R,2S,6R,7R,9R)-4,4,12,12-tetramethyl-7-phenylmethoxy-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecan-8-ol
CID 11740029
(1S,2S,3S,4R,4aR,5R,6S,7S,8R,8aR)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,6,7,8-tetrakis(phenylmethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,2,3-triol
CID 102309359
(1S,2R,6R,7S,9R)-9-methoxy-4,4-dimethyl-1-phenylmethoxy-3,5,8,10-tetraoxatricyclo[5.2.2.02,6]undecane
CID 98391257
(4aR,6S,7R,8S,8aR)-2,2-dimethyl-7-phenylmethoxy-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 10952926
(2E)-2-[(3aR,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ylidene]ethanol
CID 56926760

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4aR,6S,8R,8aS)-6-methoxy-2,2-dimethyl-8-phenylmethoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-ylidene]ethanol?
The IUPAC name of (2E)-2-[(4aR,6S,8R,8aS)-6-methoxy-2,2-dimethyl-8-phenylmethoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-ylidene]ethanol (CID 11046334) is (2E)-2-[(4aR,6S,8R,8aS)-6-methoxy-2,2-dimethyl-8-phenylmethoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-ylidene]ethanol.
What is the SMILES notation for (2E)-2-[(4aR,6S,8R,8aS)-6-methoxy-2,2-dimethyl-8-phenylmethoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-ylidene]ethanol?
The canonical SMILES for (2E)-2-[(4aR,6S,8R,8aS)-6-methoxy-2,2-dimethyl-8-phenylmethoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-ylidene]ethanol is CO[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](OCc2ccccc2)/C1=C\CO.
What is the InChIKey of (2E)-2-[(4aR,6S,8R,8aS)-6-methoxy-2,2-dimethyl-8-phenylmethoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-ylidene]ethanol?
The InChIKey is WQSVZSLYIWCACW-FCHQSTINSA-N. The full InChI is InChI=1S/C19H26O6/c1-19(2)23-12-15-17(25-19)16(14(9-10-20)18(21-3)24-15)22-11-13-7-5-4-6-8-13/h4-9,15-18,20H,10-12H2,1-3H3/b14-9+/t15-,16-,17-,18+/m1/s1.
What are the key properties of (2E)-2-[(4aR,6S,8R,8aS)-6-methoxy-2,2-dimethyl-8-phenylmethoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-ylidene]ethanol?
(2E)-2-[(4aR,6S,8R,8aS)-6-methoxy-2,2-dimethyl-8-phenylmethoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-ylidene]ethanol has a molecular weight of 350.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4aR,6S,8R,8aS)-6-methoxy-2,2-dimethyl-8-phenylmethoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-ylidene]ethanol is sourced from PubChem (CID 11046334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).