(1S,5R,6S,7R,8S,12S,14S,15S)-14,15-dimethoxy-14,15-dimethyl-6,7-diphenyl-3,10,13,16-tetraoxatricyclo[10.4.0.05,8]hexadecane-4,9-dione

C28H32O8 — CID 10625076

IUPAC(1S,5R,6S,7R,8S,12S,14S,15S)-14,15-dimethoxy-14,15-dimethyl-6,7-diphenyl-3,10,13,16-tetraoxatricyclo[10.4.0.05,8]hexadecane-4,9-dione
SMILESCO[C@@]1(C)O[C@H]2COC(=O)[C@@H]3[C@H](C(=O)OC[C@@H]2O[C@]1(C)OC)[C@@H](c1ccccc1)[C@H]3c1ccccc1
InChIInChI=1S/C28H32O8/c1-27(31-3)28(2,32-4)36-20-16-34-26(30)24-22(18-13-9-6-10-14-18)21(17-11-7-5-8-12-17)23(24)25(29)33-15-19(20)35-27/h5-14,19-24H,15-16H2,1-4H3/t19-,20-,21-,22+,23+,24-,27-,28-/m0/s1
InChIKeyKSOAHARYUABOMW-BWTIJCIISA-N
MW496.56 g/mol
LogP3.41
Rot. Bonds4

About (1S,5R,6S,7R,8S,12S,14S,15S)-14,15-dimethoxy-14,15-dimethyl-6,7-diphenyl-3,10,13,16-tetraoxatricyclo[10.4.0.05,8]hexadecane-4,9-dione

(1S,5R,6S,7R,8S,12S,14S,15S)-14,15-dimethoxy-14,15-dimethyl-6,7-diphenyl-3,10,13,16-tetraoxatricyclo[10.4.0.05,8]hexadecane-4,9-dione (PubChem CID 10625076) has the molecular formula C28H32O8 and a molecular weight of 496.56 g/mol. Its IUPAC name is (1S,5R,6S,7R,8S,12S,14S,15S)-14,15-dimethoxy-14,15-dimethyl-6,7-diphenyl-3,10,13,16-tetraoxatricyclo[10.4.0.05,8]hexadecane-4,9-dione.

Molecular Properties

Compound Name(1S,5R,6S,7R,8S,12S,14S,15S)-14,15-dimethoxy-14,15-dimethyl-6,7-diphenyl-3,10,13,16-tetraoxatricyclo[10.4.0.05,8]hexadecane-4,9-dione
PubChem CID10625076
Molecular FormulaC28H32O8
Molecular Weight496.56 g/mol
Exact Mass496.21
IUPAC Name(1S,5R,6S,7R,8S,12S,14S,15S)-14,15-dimethoxy-14,15-dimethyl-6,7-diphenyl-3,10,13,16-tetraoxatricyclo[10.4.0.05,8]hexadecane-4,9-dione
SMILESCO[C@@]1(C)O[C@H]2COC(=O)[C@@H]3[C@H](C(=O)OC[C@@H]2O[C@]1(C)OC)[C@@H](c1ccccc1)[C@H]3c1ccccc1
InChIInChI=1S/C28H32O8/c1-27(31-3)28(2,32-4)36-20-16-34-26(30)24-22(18-13-9-6-10-14-18)21(17-11-7-5-8-12-17)23(24)25(29)33-15-19(20)35-27/h5-14,19-24H,15-16H2,1-4H3/t19-,20-,21-,22+,23+,24-,27-,28-/m0/s1
InChIKeyKSOAHARYUABOMW-BWTIJCIISA-N
XLogP3.41
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1S,5R,6S,7R,8S,12S,14S,15S)-14,15-dimethoxy-14,15-dimethyl-6,7-diphenyl-3,10,13,16-tetraoxatricyclo[10.4.0.05,8]hexadecane-4,9-dione with MolForge

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Related Compounds

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CID 132917532
(3S,4R)-4-(methoxymethoxymethyl)-3-phenyloxolan-2-one
CID 11413679
(1S,2S,6R,9S)-9-methyl-2-phenyl-5,7-dioxatricyclo[4.2.1.03,9]nonan-4-one
CID 102330634
(1R,4R,10S,12R,13R,15R,18R,24S,26R,27R)-12,13,26,27-tetramethoxy-4,12,13,18,26,27-hexamethyl-3,11,14,17,25,28-hexaoxatricyclo[22.4.0.010,15]octacosane-2,16-dione
CID 11433635
(4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane
CID 14972315
(3R,4S)-4-butyl-3-phenyloxolan-2-one
CID 12063781
(3R,5R)-3-methyl-5-phenylmorpholin-2-one
CID 15042724
(3S,5R,6R)-3-[(3R,4R)-3-[(S)-hydroxy(phenyl)methyl]-2-oxooxan-4-yl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one
CID 11661174
(3S,4R)-4-pentyl-3-phenyloxolan-2-one
CID 102094914
(5E)-6-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione
CID 135061434
(1R,3R,6R,7R,10R)-3-methoxy-10-phenyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 101210349
(1S,3S,6S,7S,10S)-3-methoxy-10-phenyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 101210350

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6S,7R,8S,12S,14S,15S)-14,15-dimethoxy-14,15-dimethyl-6,7-diphenyl-3,10,13,16-tetraoxatricyclo[10.4.0.05,8]hexadecane-4,9-dione?
The IUPAC name of (1S,5R,6S,7R,8S,12S,14S,15S)-14,15-dimethoxy-14,15-dimethyl-6,7-diphenyl-3,10,13,16-tetraoxatricyclo[10.4.0.05,8]hexadecane-4,9-dione (CID 10625076) is (1S,5R,6S,7R,8S,12S,14S,15S)-14,15-dimethoxy-14,15-dimethyl-6,7-diphenyl-3,10,13,16-tetraoxatricyclo[10.4.0.05,8]hexadecane-4,9-dione.
What is the SMILES notation for (1S,5R,6S,7R,8S,12S,14S,15S)-14,15-dimethoxy-14,15-dimethyl-6,7-diphenyl-3,10,13,16-tetraoxatricyclo[10.4.0.05,8]hexadecane-4,9-dione?
The canonical SMILES for (1S,5R,6S,7R,8S,12S,14S,15S)-14,15-dimethoxy-14,15-dimethyl-6,7-diphenyl-3,10,13,16-tetraoxatricyclo[10.4.0.05,8]hexadecane-4,9-dione is CO[C@@]1(C)O[C@H]2COC(=O)[C@@H]3[C@H](C(=O)OC[C@@H]2O[C@]1(C)OC)[C@@H](c1ccccc1)[C@H]3c1ccccc1.
What is the InChIKey of (1S,5R,6S,7R,8S,12S,14S,15S)-14,15-dimethoxy-14,15-dimethyl-6,7-diphenyl-3,10,13,16-tetraoxatricyclo[10.4.0.05,8]hexadecane-4,9-dione?
The InChIKey is KSOAHARYUABOMW-BWTIJCIISA-N. The full InChI is InChI=1S/C28H32O8/c1-27(31-3)28(2,32-4)36-20-16-34-26(30)24-22(18-13-9-6-10-14-18)21(17-11-7-5-8-12-17)23(24)25(29)33-15-19(20)35-27/h5-14,19-24H,15-16H2,1-4H3/t19-,20-,21-,22+,23+,24-,27-,28-/m0/s1.
What are the key properties of (1S,5R,6S,7R,8S,12S,14S,15S)-14,15-dimethoxy-14,15-dimethyl-6,7-diphenyl-3,10,13,16-tetraoxatricyclo[10.4.0.05,8]hexadecane-4,9-dione?
(1S,5R,6S,7R,8S,12S,14S,15S)-14,15-dimethoxy-14,15-dimethyl-6,7-diphenyl-3,10,13,16-tetraoxatricyclo[10.4.0.05,8]hexadecane-4,9-dione has a molecular weight of 496.56 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6S,7R,8S,12S,14S,15S)-14,15-dimethoxy-14,15-dimethyl-6,7-diphenyl-3,10,13,16-tetraoxatricyclo[10.4.0.05,8]hexadecane-4,9-dione is sourced from PubChem (CID 10625076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).