(2S,4R,7R,9S)-12-ethoxy-9-methoxy-4-phenyl-3,5,8,11-tetraoxatricyclo[8.4.0.02,7]tetradec-1(10)-ene

C19H24O6 — CID 10617701

IUPAC(2S,4R,7R,9S)-12-ethoxy-9-methoxy-4-phenyl-3,5,8,11-tetraoxatricyclo[8.4.0.02,7]tetradec-1(10)-ene
SMILESCCOC1CCC2=C(O1)[C@@H](OC)O[C@@H]1CO[C@@H](c3ccccc3)O[C@@H]21
InChIInChI=1S/C19H24O6/c1-3-21-15-10-9-13-16-14(23-19(20-2)17(13)24-15)11-22-18(25-16)12-7-5-4-6-8-12/h4-8,14-16,18-19H,3,9-11H2,1-2H3/t14-,15?,16+,18-,19+/m1/s1
InChIKeyPHQIMVZFXDHAQS-LCKDPTFFSA-N
MW348.39 g/mol
LogP2.90
Rot. Bonds4

About (2S,4R,7R,9S)-12-ethoxy-9-methoxy-4-phenyl-3,5,8,11-tetraoxatricyclo[8.4.0.02,7]tetradec-1(10)-ene

(2S,4R,7R,9S)-12-ethoxy-9-methoxy-4-phenyl-3,5,8,11-tetraoxatricyclo[8.4.0.02,7]tetradec-1(10)-ene (PubChem CID 10617701) has the molecular formula C19H24O6 and a molecular weight of 348.39 g/mol. Its IUPAC name is (2S,4R,7R,9S)-12-ethoxy-9-methoxy-4-phenyl-3,5,8,11-tetraoxatricyclo[8.4.0.02,7]tetradec-1(10)-ene.

Molecular Properties

Compound Name(2S,4R,7R,9S)-12-ethoxy-9-methoxy-4-phenyl-3,5,8,11-tetraoxatricyclo[8.4.0.02,7]tetradec-1(10)-ene
PubChem CID10617701
Molecular FormulaC19H24O6
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name(2S,4R,7R,9S)-12-ethoxy-9-methoxy-4-phenyl-3,5,8,11-tetraoxatricyclo[8.4.0.02,7]tetradec-1(10)-ene
SMILESCCOC1CCC2=C(O1)[C@@H](OC)O[C@@H]1CO[C@@H](c3ccccc3)O[C@@H]21
InChIInChI=1S/C19H24O6/c1-3-21-15-10-9-13-16-14(23-19(20-2)17(13)24-15)11-22-18(25-16)12-7-5-4-6-8-12/h4-8,14-16,18-19H,3,9-11H2,1-2H3/t14-,15?,16+,18-,19+/m1/s1
InChIKeyPHQIMVZFXDHAQS-LCKDPTFFSA-N
XLogP2.90
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S,4R,7R,9S)-12-ethoxy-9-methoxy-4-phenyl-3,5,8,11-tetraoxatricyclo[8.4.0.02,7]tetradec-1(10)-ene with MolForge

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Related Compounds

8-(ethoxymethoxy)-6-methoxy-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one
CID 59012601
(1S,7S,9R,12R)-7-methoxy-12-phenyl-4-prop-2-enyl-8,11,13-trioxa-3,4-diazatricyclo[7.4.0.02,6]trideca-2,5-diene
CID 24770189
(1S,2S,4R,6S,9R,12R)-4-ethoxy-12-phenyl-3,8,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane
CID 10335299
ethyl (1S,7S,9R,12R)-7-methoxy-12-phenyl-8,11,13-trioxa-4-azatricyclo[7.4.0.02,6]trideca-2,5-diene-5-carboxylate
CID 25193554
(4aR,6S,8aS)-6-methoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine-7-carbaldehyde
CID 14055354
(4aR,6S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine
CID 101011075
(2S,4R,7R,9S)-13-(furan-2-yl)-9-methoxy-4-phenyl-3,5,8-trioxa-12,14-diazatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene
CID 102035920
6-ethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 73455690
2-[(2R,4aR,6S,8S,8aS)-6-methoxy-7-oxo-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]acetaldehyde
CID 101369188
(2R,4aR,6S,7S,8aR)-6-methoxy-7-(2-methylpropylamino)-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one
CID 10903789
(1S,2S,6R,7S,9R,12R)-3-ethyl-7-methoxy-12-phenyl-8,11,13-trioxa-3-azatricyclo[7.4.0.02,6]tridecane
CID 101467180
[(2R,4aR,6S,8aS)-6-methoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate
CID 10571031

Frequently Asked Questions

What is the IUPAC name of (2S,4R,7R,9S)-12-ethoxy-9-methoxy-4-phenyl-3,5,8,11-tetraoxatricyclo[8.4.0.02,7]tetradec-1(10)-ene?
The IUPAC name of (2S,4R,7R,9S)-12-ethoxy-9-methoxy-4-phenyl-3,5,8,11-tetraoxatricyclo[8.4.0.02,7]tetradec-1(10)-ene (CID 10617701) is (2S,4R,7R,9S)-12-ethoxy-9-methoxy-4-phenyl-3,5,8,11-tetraoxatricyclo[8.4.0.02,7]tetradec-1(10)-ene.
What is the SMILES notation for (2S,4R,7R,9S)-12-ethoxy-9-methoxy-4-phenyl-3,5,8,11-tetraoxatricyclo[8.4.0.02,7]tetradec-1(10)-ene?
The canonical SMILES for (2S,4R,7R,9S)-12-ethoxy-9-methoxy-4-phenyl-3,5,8,11-tetraoxatricyclo[8.4.0.02,7]tetradec-1(10)-ene is CCOC1CCC2=C(O1)[C@@H](OC)O[C@@H]1CO[C@@H](c3ccccc3)O[C@@H]21.
What is the InChIKey of (2S,4R,7R,9S)-12-ethoxy-9-methoxy-4-phenyl-3,5,8,11-tetraoxatricyclo[8.4.0.02,7]tetradec-1(10)-ene?
The InChIKey is PHQIMVZFXDHAQS-LCKDPTFFSA-N. The full InChI is InChI=1S/C19H24O6/c1-3-21-15-10-9-13-16-14(23-19(20-2)17(13)24-15)11-22-18(25-16)12-7-5-4-6-8-12/h4-8,14-16,18-19H,3,9-11H2,1-2H3/t14-,15?,16+,18-,19+/m1/s1.
What are the key properties of (2S,4R,7R,9S)-12-ethoxy-9-methoxy-4-phenyl-3,5,8,11-tetraoxatricyclo[8.4.0.02,7]tetradec-1(10)-ene?
(2S,4R,7R,9S)-12-ethoxy-9-methoxy-4-phenyl-3,5,8,11-tetraoxatricyclo[8.4.0.02,7]tetradec-1(10)-ene has a molecular weight of 348.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,7R,9S)-12-ethoxy-9-methoxy-4-phenyl-3,5,8,11-tetraoxatricyclo[8.4.0.02,7]tetradec-1(10)-ene is sourced from PubChem (CID 10617701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).