(7Z,13Z)-3-tri(propan-2-yl)silyloxy-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione

C22H36O7Si — CID 142724535

IUPAC(7Z,13Z)-3-tri(propan-2-yl)silyloxy-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
SMILESCC(C)[Si](OC1COC(=O)/C=C\CCOC(=O)/C=C\CCOC1=O)(C(C)C)C(C)C
InChIInChI=1S/C22H36O7Si/c1-16(2)30(17(3)4,18(5)6)29-19-15-28-21(24)12-7-9-13-26-20(23)11-8-10-14-27-22(19)25/h7-8,11-12,16-19H,9-10,13-15H2,1-6H3/b11-8-,12-7-
InChIKeyFHUORWZWVPJYGI-HONFXZPPSA-N
MW440.61 g/mol
LogP4.08
Rot. Bonds5

About (7Z,13Z)-3-tri(propan-2-yl)silyloxy-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione

(7Z,13Z)-3-tri(propan-2-yl)silyloxy-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione (PubChem CID 142724535) has the molecular formula C22H36O7Si and a molecular weight of 440.61 g/mol. Its IUPAC name is (7Z,13Z)-3-tri(propan-2-yl)silyloxy-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione.

Molecular Properties

Compound Name(7Z,13Z)-3-tri(propan-2-yl)silyloxy-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
PubChem CID142724535
Molecular FormulaC22H36O7Si
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC Name(7Z,13Z)-3-tri(propan-2-yl)silyloxy-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
SMILESCC(C)[Si](OC1COC(=O)/C=C\CCOC(=O)/C=C\CCOC1=O)(C(C)C)C(C)C
InChIInChI=1S/C22H36O7Si/c1-16(2)30(17(3)4,18(5)6)29-19-15-28-21(24)12-7-9-13-26-20(23)11-8-10-14-27-22(19)25/h7-8,11-12,16-19H,9-10,13-15H2,1-6H3/b11-8-,12-7-
InChIKeyFHUORWZWVPJYGI-HONFXZPPSA-N
XLogP4.08
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (7Z,13Z)-3-tri(propan-2-yl)silyloxy-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E,2S)-6-[(2-methylpropan-2-yl)oxy]-6-oxohex-4-en-2-yl] (E,5S)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxyhex-2-enoate
CID 58599701
[6-[(2-Methylpropan-2-yl)oxy]-6-oxohex-4-en-2-yl] 5-[3-[tert-butyl(dimethyl)silyl]oxybutanoyloxy]hex-2-enoate
CID 72967965
[(2S)-6-[(2-methylpropan-2-yl)oxy]-6-oxohex-4-en-2-yl] (5S)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxyhex-2-enoate
CID 91046523
5-O-(2-methylprop-2-enoyl) 1-O-(2-oxo-2-tributylsilyloxyethyl) 2-methylpent-2-enedioate
CID 91245627
methyl (3S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)oxycyclohexa-1,4-diene-1-carboxylate
CID 10316965
ethyl (Z,4S)-4-prop-1-en-2-yloxy-5-triethylsilyloxypent-2-enoate
CID 10519360
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2E)-penta-2,4-dienoxy]pent-2-enoate
CID 10860762
[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopent-2-en-1-yl] acetate
CID 10923623
ethyl (E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxohex-2-enoate
CID 11026122
[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopent-2-en-1-yl] acetate
CID 11119161
(6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2,5-dione
CID 11139742
propan-2-yl (2E,4S,5S,6E)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate
CID 11282503

Frequently Asked Questions

What is the IUPAC name of (7Z,13Z)-3-tri(propan-2-yl)silyloxy-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione?
The IUPAC name of (7Z,13Z)-3-tri(propan-2-yl)silyloxy-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione (CID 142724535) is (7Z,13Z)-3-tri(propan-2-yl)silyloxy-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione.
What is the SMILES notation for (7Z,13Z)-3-tri(propan-2-yl)silyloxy-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione?
The canonical SMILES for (7Z,13Z)-3-tri(propan-2-yl)silyloxy-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione is CC(C)[Si](OC1COC(=O)/C=C\CCOC(=O)/C=C\CCOC1=O)(C(C)C)C(C)C.
What is the InChIKey of (7Z,13Z)-3-tri(propan-2-yl)silyloxy-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione?
The InChIKey is FHUORWZWVPJYGI-HONFXZPPSA-N. The full InChI is InChI=1S/C22H36O7Si/c1-16(2)30(17(3)4,18(5)6)29-19-15-28-21(24)12-7-9-13-26-20(23)11-8-10-14-27-22(19)25/h7-8,11-12,16-19H,9-10,13-15H2,1-6H3/b11-8-,12-7-.
What are the key properties of (7Z,13Z)-3-tri(propan-2-yl)silyloxy-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione?
(7Z,13Z)-3-tri(propan-2-yl)silyloxy-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione has a molecular weight of 440.61 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,13Z)-3-tri(propan-2-yl)silyloxy-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione is sourced from PubChem (CID 142724535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).