(3E,5S,8R,11E,13S,16R)-8,16-dimethyl-5,13-bis(oxan-2-yloxy)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione

C26H40O8 — CID 11826942

IUPAC(3E,5S,8R,11E,13S,16R)-8,16-dimethyl-5,13-bis(oxan-2-yloxy)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
SMILESC[C@@H]1CC[C@H](OC2CCCCO2)/C=C/C(=O)O[C@H](C)CC[C@H](OC2CCCCO2)/C=C/C(=O)O1
InChIInChI=1S/C26H40O8/c1-19-9-11-21(33-25-7-3-5-17-29-25)14-16-24(28)32-20(2)10-12-22(13-15-23(27)31-19)34-26-8-4-6-18-30-26/h13-16,19-22,25-26H,3-12,17-18H2,1-2H3/b15-13+,16-14+/t19-,20-,21+,22+,25?,26?/m1/s1
InChIKeyIJESEUYHKIUFHC-BDMGFSFSSA-N
MW480.60 g/mol
LogP4.36
Rot. Bonds4

About (3E,5S,8R,11E,13S,16R)-8,16-dimethyl-5,13-bis(oxan-2-yloxy)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione

(3E,5S,8R,11E,13S,16R)-8,16-dimethyl-5,13-bis(oxan-2-yloxy)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione (PubChem CID 11826942) has the molecular formula C26H40O8 and a molecular weight of 480.60 g/mol. Its IUPAC name is (3E,5S,8R,11E,13S,16R)-8,16-dimethyl-5,13-bis(oxan-2-yloxy)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione.

Molecular Properties

Compound Name(3E,5S,8R,11E,13S,16R)-8,16-dimethyl-5,13-bis(oxan-2-yloxy)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
PubChem CID11826942
Molecular FormulaC26H40O8
Molecular Weight480.60 g/mol
Exact Mass480.27
IUPAC Name(3E,5S,8R,11E,13S,16R)-8,16-dimethyl-5,13-bis(oxan-2-yloxy)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
SMILESC[C@@H]1CC[C@H](OC2CCCCO2)/C=C/C(=O)O[C@H](C)CC[C@H](OC2CCCCO2)/C=C/C(=O)O1
InChIInChI=1S/C26H40O8/c1-19-9-11-21(33-25-7-3-5-17-29-25)14-16-24(28)32-20(2)10-12-22(13-15-23(27)31-19)34-26-8-4-6-18-30-26/h13-16,19-22,25-26H,3-12,17-18H2,1-2H3/b15-13+,16-14+/t19-,20-,21+,22+,25?,26?/m1/s1
InChIKeyIJESEUYHKIUFHC-BDMGFSFSSA-N
XLogP4.36
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.60
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3E,5S,8R,11E,13S,16R)-8,16-dimethyl-5,13-bis(oxan-2-yloxy)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione with MolForge

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Launch Full Analysis

Related Compounds

beta-D-Glucopyranose, 1-[(2E,8R)-8-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-2-nonenoate]
CID 86289875
methyl (Z,4S)-4-(oxan-2-yloxy)pent-2-enoate
CID 59560731
(E,4S,7S)-7-hydroxy-4-(oxan-2-yloxy)oct-2-enoic acid
CID 11032567
propan-2-yl (E)-5-(oxan-2-yloxy)pent-2-enoate
CID 14214411
methyl (E)-6-(oxan-2-yloxy)hex-2-enoate
CID 14462366
tert-butyl (E)-7-(oxan-2-yloxy)hept-2-enoate
CID 134859999
methyl (Z)-6-(oxan-2-yloxy)hex-2-enoate
CID 135039207
ethyl (E,5R)-5-(oxan-2-yloxy)hex-2-enoate
CID 10847747
methyl (E,4S)-4-(oxan-2-yloxy)pent-2-enoate
CID 11806055
methyl (E)-4-(oxan-2-yloxy)non-2-enoate
CID 60169689
methyl (E)-7-(oxan-2-yloxy)hept-2-enoate
CID 13853642
Propan-2-yl 3,7,11-trimethyl-10-(oxan-2-yloxy)dodeca-2,6,11-trienoate
CID 54219072

Frequently Asked Questions

What is the IUPAC name of (3E,5S,8R,11E,13S,16R)-8,16-dimethyl-5,13-bis(oxan-2-yloxy)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione?
The IUPAC name of (3E,5S,8R,11E,13S,16R)-8,16-dimethyl-5,13-bis(oxan-2-yloxy)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione (CID 11826942) is (3E,5S,8R,11E,13S,16R)-8,16-dimethyl-5,13-bis(oxan-2-yloxy)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione.
What is the SMILES notation for (3E,5S,8R,11E,13S,16R)-8,16-dimethyl-5,13-bis(oxan-2-yloxy)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione?
The canonical SMILES for (3E,5S,8R,11E,13S,16R)-8,16-dimethyl-5,13-bis(oxan-2-yloxy)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione is C[C@@H]1CC[C@H](OC2CCCCO2)/C=C/C(=O)O[C@H](C)CC[C@H](OC2CCCCO2)/C=C/C(=O)O1.
What is the InChIKey of (3E,5S,8R,11E,13S,16R)-8,16-dimethyl-5,13-bis(oxan-2-yloxy)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione?
The InChIKey is IJESEUYHKIUFHC-BDMGFSFSSA-N. The full InChI is InChI=1S/C26H40O8/c1-19-9-11-21(33-25-7-3-5-17-29-25)14-16-24(28)32-20(2)10-12-22(13-15-23(27)31-19)34-26-8-4-6-18-30-26/h13-16,19-22,25-26H,3-12,17-18H2,1-2H3/b15-13+,16-14+/t19-,20-,21+,22+,25?,26?/m1/s1.
What are the key properties of (3E,5S,8R,11E,13S,16R)-8,16-dimethyl-5,13-bis(oxan-2-yloxy)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione?
(3E,5S,8R,11E,13S,16R)-8,16-dimethyl-5,13-bis(oxan-2-yloxy)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione has a molecular weight of 480.60 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5S,8R,11E,13S,16R)-8,16-dimethyl-5,13-bis(oxan-2-yloxy)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione is sourced from PubChem (CID 11826942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).