(2'R,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(E)-2-phenylethenyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]

C19H24O6 — CID 10427826

IUPAC(2'R,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(E)-2-phenylethenyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
SMILESCO[C@H]1[C@@H]2O[C@H](/C=C/c3ccccc3)O[C@@H]2CO[C@]12COC(C)(C)O2
InChIInChI=1S/C19H24O6/c1-18(2)22-12-19(25-18)17(20-3)16-14(11-21-19)23-15(24-16)10-9-13-7-5-4-6-8-13/h4-10,14-17H,11-12H2,1-3H3/b10-9+/t14-,15-,16-,17+,19+/m1/s1
InChIKeyCHNHMSFEOFODGA-MPLKKXCGSA-N
MW348.40 g/mol
LogP2.33
Rot. Bonds3

About (2'R,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(E)-2-phenylethenyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]

(2'R,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(E)-2-phenylethenyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] (PubChem CID 10427826) has the molecular formula C19H24O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2'R,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(E)-2-phenylethenyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran].

Molecular Properties

Compound Name(2'R,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(E)-2-phenylethenyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
PubChem CID10427826
Molecular FormulaC19H24O6
Molecular Weight348.40 g/mol
Exact Mass348.16
IUPAC Name(2'R,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(E)-2-phenylethenyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
SMILESCO[C@H]1[C@@H]2O[C@H](/C=C/c3ccccc3)O[C@@H]2CO[C@]12COC(C)(C)O2
InChIInChI=1S/C19H24O6/c1-18(2)22-12-19(25-18)17(20-3)16-14(11-21-19)23-15(24-16)10-9-13-7-5-4-6-8-13/h4-10,14-17H,11-12H2,1-3H3/b10-9+/t14-,15-,16-,17+,19+/m1/s1
InChIKeyCHNHMSFEOFODGA-MPLKKXCGSA-N
XLogP2.33
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2'R,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(E)-2-phenylethenyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] with MolForge

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Related Compounds

(2'R,3'aR,4S,7'S,7'aR)-2,2-dimethyl-2'-[(E)-2-phenylethenyl]-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
CID 10074708
(2'S,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(1R,2R)-2-phenylcyclopropyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
CID 10044185
(2'R,3'aR,4S,7'S,7'aR)-2,2-dimethyl-2'-phenyl-7'-phenylmethoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
CID 11003850
(2'R,3'aR,4S,7'S,7'aR)-2'-[(1R)-2,2-dimethylcyclopropyl]-2,2-dimethyl-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
CID 10253979
2-[(3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-yl]oxycarbonylbenzoic acid
CID 101131696
(6S,7S,8aS)-6-methoxy-2-[(E)-2-phenylethenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 176586144
(2'S,3'aR,4S,7'S,7'aR)-2,2-dimethyl-2'-[(1S,2S)-2-(2-phenylethyl)cyclopropyl]-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
CID 10392576
5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
CID 6043851
(5S,6S,7R,8R)-2,2-dimethyl-6,7-bis(phenylmethoxy)-1,3,10-trioxaspiro[4.5]decan-8-ol
CID 101138684
(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-[(Z)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 101250818
[(4'aS,7'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]-7'-yl] benzoate
CID 101406715
(3'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 11118797

Frequently Asked Questions

What is the IUPAC name of (2'R,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(E)-2-phenylethenyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]?
The IUPAC name of (2'R,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(E)-2-phenylethenyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] (CID 10427826) is (2'R,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(E)-2-phenylethenyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran].
What is the SMILES notation for (2'R,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(E)-2-phenylethenyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]?
The canonical SMILES for (2'R,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(E)-2-phenylethenyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] is CO[C@H]1[C@@H]2O[C@H](/C=C/c3ccccc3)O[C@@H]2CO[C@]12COC(C)(C)O2.
What is the InChIKey of (2'R,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(E)-2-phenylethenyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]?
The InChIKey is CHNHMSFEOFODGA-MPLKKXCGSA-N. The full InChI is InChI=1S/C19H24O6/c1-18(2)22-12-19(25-18)17(20-3)16-14(11-21-19)23-15(24-16)10-9-13-7-5-4-6-8-13/h4-10,14-17H,11-12H2,1-3H3/b10-9+/t14-,15-,16-,17+,19+/m1/s1.
What are the key properties of (2'R,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(E)-2-phenylethenyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]?
(2'R,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(E)-2-phenylethenyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] has a molecular weight of 348.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3'aR,4S,7'S,7'aR)-7'-methoxy-2,2-dimethyl-2'-[(E)-2-phenylethenyl]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] is sourced from PubChem (CID 10427826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).