[(2R,3S,4S,6E,8E,10S)-3-[diethyl(propan-2-yl)silyl]oxy-10-methoxy-2,4,6-trimethyl-10-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]deca-6,8-dienyl] 2,2-dimethylpropanoate

C33H62O6Si — CID 11017333

IUPAC[(2R,3S,4S,6E,8E,10S)-3-[diethyl(propan-2-yl)silyl]oxy-10-methoxy-2,4,6-trimethyl-10-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]deca-6,8-dienyl] 2,2-dimethylpropanoate
SMILESCC[Si](CC)(O[C@H]([C@H](C)COC(=O)C(C)(C)C)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]1OC(C)(C)OC[C@@H]1C)C(C)C
InChIInChI=1S/C33H62O6Si/c1-15-40(16-2,23(3)4)39-29(26(7)21-36-31(34)32(9,10)11)25(6)20-24(5)18-17-19-28(35-14)30-27(8)22-37-33(12,13)38-30/h17-19,23,25-30H,15-16,20-22H2,1-14H3/b19-17+,24-18+/t25-,26+,27-,28-,29-,30+/m0/s1
InChIKeyKZHNSVYEHQKGRH-PFUNQQAVSA-N
MW582.94 g/mol
LogP8.32
Rot. Bonds15

About [(2R,3S,4S,6E,8E,10S)-3-[diethyl(propan-2-yl)silyl]oxy-10-methoxy-2,4,6-trimethyl-10-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]deca-6,8-dienyl] 2,2-dimethylpropanoate

[(2R,3S,4S,6E,8E,10S)-3-[diethyl(propan-2-yl)silyl]oxy-10-methoxy-2,4,6-trimethyl-10-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]deca-6,8-dienyl] 2,2-dimethylpropanoate (PubChem CID 11017333) has the molecular formula C33H62O6Si and a molecular weight of 582.94 g/mol. Its IUPAC name is [(2R,3S,4S,6E,8E,10S)-3-[diethyl(propan-2-yl)silyl]oxy-10-methoxy-2,4,6-trimethyl-10-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]deca-6,8-dienyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,3S,4S,6E,8E,10S)-3-[diethyl(propan-2-yl)silyl]oxy-10-methoxy-2,4,6-trimethyl-10-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]deca-6,8-dienyl] 2,2-dimethylpropanoate
PubChem CID11017333
Molecular FormulaC33H62O6Si
Molecular Weight582.94 g/mol
Exact Mass582.43
IUPAC Name[(2R,3S,4S,6E,8E,10S)-3-[diethyl(propan-2-yl)silyl]oxy-10-methoxy-2,4,6-trimethyl-10-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]deca-6,8-dienyl] 2,2-dimethylpropanoate
SMILESCC[Si](CC)(O[C@H]([C@H](C)COC(=O)C(C)(C)C)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]1OC(C)(C)OC[C@@H]1C)C(C)C
InChIInChI=1S/C33H62O6Si/c1-15-40(16-2,23(3)4)39-29(26(7)21-36-31(34)32(9,10)11)25(6)20-24(5)18-17-19-28(35-14)30-27(8)22-37-33(12,13)38-30/h17-19,23,25-30H,15-16,20-22H2,1-14H3/b19-17+,24-18+/t25-,26+,27-,28-,29-,30+/m0/s1
InChIKeyKZHNSVYEHQKGRH-PFUNQQAVSA-N
XLogP8.32
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.94
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3S,4S,6E,8E,10S)-3-[diethyl(propan-2-yl)silyl]oxy-10-methoxy-2,4,6-trimethyl-10-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]deca-6,8-dienyl] 2,2-dimethylpropanoate 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

ethyl 2-[(2R,5S,6S)-6-[(2E,4E,6S,8E,10S,11R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-11-methoxy-6,8,10-trimethyltrideca-2,4,8-trien-2-yl]-5-methyloxan-2-yl]acetate
CID 56590591
[(Z)-3-[(5S)-6-[(2E,4E,6E,8R)-10-[tert-butyl(dimethyl)silyl]oxy-8-methoxydeca-2,4,6-trienyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]but-2-enyl] 2,2-dimethylpropanoate
CID 134982257
(1S,2R,3E,5Z,9S,10R,11R,12S,14Z,16S,17S,18S,19Z,21S)-11,17-bis[[tert-butyl(dimethyl)silyl]oxy]-9-[(2S,3Z)-hexa-3,5-dien-2-yl]-2,10,12,14,16,18,23,23-octamethyl-8,22,24-trioxabicyclo[19.3.1]pentacosa-3,5,14,19-tetraen-7-one
CID 139252533
(1R,7S,9E,15S,17R)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-15-methyl-13-methylidene-11-tri(propan-2-yl)silyloxy-6,21-dioxabicyclo[15.3.1]henicosa-9,19-dien-3-yn-5-one
CID 59026967
[(2S,3S,4E)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-4-(2-methoxy-2-oxoethylidene)-6-prop-2-enyloxan-3-yl] propanoate
CID 59094723
[(2S,3S,4E,6R)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-4-(2-methoxy-2-oxoethylidene)-6-prop-2-enyloxan-3-yl] propanoate
CID 59566088
(2R)-2-[(1E,3Z,5R,7E,9E,11S)-11-[tert-butyl(dimethyl)silyl]oxy-11-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
CID 60088526
7-(2,2-Dimethyl-1,3-dioxolan-4-yl)-15-methyl-13-methylidene-11-tri(propan-2-yl)silyloxy-6,21-dioxabicyclo[15.3.1]henicosa-3,9,19-trien-5-one
CID 68709639
7-(2,2-Dimethyl-1,3-dioxolan-4-yl)-15-methyl-13-methylidene-11-tri(propan-2-yl)silyloxy-6,21-dioxabicyclo[15.3.1]henicosa-9,19-dien-3-yn-5-one
CID 72493511
(2R)-2-[(5R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-11-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
CID 90770306
[(2S,3S,6R)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-4-(2-methoxy-2-oxoethylidene)-6-prop-2-enyloxan-3-yl] propanoate
CID 91183663
(1R,7S,15S,17R)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-15-methyl-13-methylidene-11-tri(propan-2-yl)silyloxy-6,21-dioxabicyclo[15.3.1]henicosa-9,19-dien-3-yn-5-one
CID 91373281

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,6E,8E,10S)-3-[diethyl(propan-2-yl)silyl]oxy-10-methoxy-2,4,6-trimethyl-10-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]deca-6,8-dienyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R,3S,4S,6E,8E,10S)-3-[diethyl(propan-2-yl)silyl]oxy-10-methoxy-2,4,6-trimethyl-10-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]deca-6,8-dienyl] 2,2-dimethylpropanoate (CID 11017333) is [(2R,3S,4S,6E,8E,10S)-3-[diethyl(propan-2-yl)silyl]oxy-10-methoxy-2,4,6-trimethyl-10-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]deca-6,8-dienyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,3S,4S,6E,8E,10S)-3-[diethyl(propan-2-yl)silyl]oxy-10-methoxy-2,4,6-trimethyl-10-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]deca-6,8-dienyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,3S,4S,6E,8E,10S)-3-[diethyl(propan-2-yl)silyl]oxy-10-methoxy-2,4,6-trimethyl-10-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]deca-6,8-dienyl] 2,2-dimethylpropanoate is CC[Si](CC)(O[C@H]([C@H](C)COC(=O)C(C)(C)C)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]1OC(C)(C)OC[C@@H]1C)C(C)C.
What is the InChIKey of [(2R,3S,4S,6E,8E,10S)-3-[diethyl(propan-2-yl)silyl]oxy-10-methoxy-2,4,6-trimethyl-10-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]deca-6,8-dienyl] 2,2-dimethylpropanoate?
The InChIKey is KZHNSVYEHQKGRH-PFUNQQAVSA-N. The full InChI is InChI=1S/C33H62O6Si/c1-15-40(16-2,23(3)4)39-29(26(7)21-36-31(34)32(9,10)11)25(6)20-24(5)18-17-19-28(35-14)30-27(8)22-37-33(12,13)38-30/h17-19,23,25-30H,15-16,20-22H2,1-14H3/b19-17+,24-18+/t25-,26+,27-,28-,29-,30+/m0/s1.
What are the key properties of [(2R,3S,4S,6E,8E,10S)-3-[diethyl(propan-2-yl)silyl]oxy-10-methoxy-2,4,6-trimethyl-10-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]deca-6,8-dienyl] 2,2-dimethylpropanoate?
[(2R,3S,4S,6E,8E,10S)-3-[diethyl(propan-2-yl)silyl]oxy-10-methoxy-2,4,6-trimethyl-10-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]deca-6,8-dienyl] 2,2-dimethylpropanoate has a molecular weight of 582.94 g/mol, XLogP of 8.32, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,6E,8E,10S)-3-[diethyl(propan-2-yl)silyl]oxy-10-methoxy-2,4,6-trimethyl-10-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]deca-6,8-dienyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11017333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).