[(Z)-1-[(3aS,4S,6S,7aS)-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]prop-1-en-2-yl]-triphenylstannane

C36H38O4Sn — CID 135007843

IUPAC[(Z)-1-[(3aS,4S,6S,7aS)-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]prop-1-en-2-yl]-triphenylstannane
SMILESC/C(=C\[C@@H]1C[C@@H]2OC(C)(C)O[C@@H]2[C@@H](OCc2ccccc2)O1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23O4.3C6H5.Sn/c1-4-8-14-11-15-16(22-18(2,3)21-15)17(20-14)19-12-13-9-6-5-7-10-13;3*1-2-4-6-5-3-1;/h5-10,14-17H,11-12H2,1-3H3;3*1-5H;/t14-,15+,16+,17+;;;;/m1..../s1
InChIKeyXXYZWATZJYQVHB-XGGCTCLRSA-N
MW653.41 g/mol
LogP5.49
Rot. Bonds8

About [(Z)-1-[(3aS,4S,6S,7aS)-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]prop-1-en-2-yl]-triphenylstannane

[(Z)-1-[(3aS,4S,6S,7aS)-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]prop-1-en-2-yl]-triphenylstannane (PubChem CID 135007843) has the molecular formula C36H38O4Sn and a molecular weight of 653.41 g/mol. Its IUPAC name is [(Z)-1-[(3aS,4S,6S,7aS)-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]prop-1-en-2-yl]-triphenylstannane.

Molecular Properties

Compound Name[(Z)-1-[(3aS,4S,6S,7aS)-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]prop-1-en-2-yl]-triphenylstannane
PubChem CID135007843
Molecular FormulaC36H38O4Sn
Molecular Weight653.41 g/mol
Exact Mass654.18
IUPAC Name[(Z)-1-[(3aS,4S,6S,7aS)-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]prop-1-en-2-yl]-triphenylstannane
SMILESC/C(=C\[C@@H]1C[C@@H]2OC(C)(C)O[C@@H]2[C@@H](OCc2ccccc2)O1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23O4.3C6H5.Sn/c1-4-8-14-11-15-16(22-18(2,3)21-15)17(20-14)19-12-13-9-6-5-7-10-13;3*1-2-4-6-5-3-1;/h5-10,14-17H,11-12H2,1-3H3;3*1-5H;/t14-,15+,16+,17+;;;;/m1..../s1
InChIKeyXXYZWATZJYQVHB-XGGCTCLRSA-N
XLogP5.49
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.41
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(Z)-1-[(3aS,4S,6S,7aS)-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]prop-1-en-2-yl]-triphenylstannane with MolForge

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Related Compounds

(4R,5S,6S,7aS)-2,2-dimethyl-4,6-bis(phenylmethoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-ol
CID 146032402
4,12,12-trimethyl-7-phenylmethoxy-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 123547448
[(4R,6R)-2,2-dimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 59975529
(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
(E)-3-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-en-1-ol
CID 11483592
(1S)-1-[(4S,6R)-2,2-dimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethanol
CID 177392606
(3aR,4R,5R,6S,7R,7aR)-2,2-dimethyl-4,7-bis(phenylmethoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5,6-diol
CID 10715972
(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-phenylmethoxy-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 14409479
(3aS,6S,7S,7aS)-7-iodo-2,2-dimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 101171900
(3aS,7S,8R,8aR)-2,2-dimethyl-8-phenylmethoxy-4,5,6,7,8,8a-hexahydro-3aH-[1,3]dioxolo[4,5-c]azepin-7-amine
CID 135012433
(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
(3aR,4R,6S,7aR)-2,2-dimethyl-6-(phenylmethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol
CID 11471925

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[(3aS,4S,6S,7aS)-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]prop-1-en-2-yl]-triphenylstannane?
The IUPAC name of [(Z)-1-[(3aS,4S,6S,7aS)-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]prop-1-en-2-yl]-triphenylstannane (CID 135007843) is [(Z)-1-[(3aS,4S,6S,7aS)-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]prop-1-en-2-yl]-triphenylstannane.
What is the SMILES notation for [(Z)-1-[(3aS,4S,6S,7aS)-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]prop-1-en-2-yl]-triphenylstannane?
The canonical SMILES for [(Z)-1-[(3aS,4S,6S,7aS)-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]prop-1-en-2-yl]-triphenylstannane is C/C(=C\[C@@H]1C[C@@H]2OC(C)(C)O[C@@H]2[C@@H](OCc2ccccc2)O1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-[(3aS,4S,6S,7aS)-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]prop-1-en-2-yl]-triphenylstannane?
The InChIKey is XXYZWATZJYQVHB-XGGCTCLRSA-N. The full InChI is InChI=1S/C18H23O4.3C6H5.Sn/c1-4-8-14-11-15-16(22-18(2,3)21-15)17(20-14)19-12-13-9-6-5-7-10-13;3*1-2-4-6-5-3-1;/h5-10,14-17H,11-12H2,1-3H3;3*1-5H;/t14-,15+,16+,17+;;;;/m1..../s1.
What are the key properties of [(Z)-1-[(3aS,4S,6S,7aS)-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]prop-1-en-2-yl]-triphenylstannane?
[(Z)-1-[(3aS,4S,6S,7aS)-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]prop-1-en-2-yl]-triphenylstannane has a molecular weight of 653.41 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[(3aS,4S,6S,7aS)-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]prop-1-en-2-yl]-triphenylstannane is sourced from PubChem (CID 135007843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).