[(E,3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylhept-5-enyl] 2,2-dimethylpropanoate

C26H50O5Si — CID 10390002

IUPAC[(E,3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylhept-5-enyl] 2,2-dimethylpropanoate
SMILESC[C@H](C/C=C/C[C@H]1OC(C)(C)OC[C@@H]1CO[Si](C)(C)C(C)(C)C)CCOC(=O)C(C)(C)C
InChIInChI=1S/C26H50O5Si/c1-20(16-17-28-23(27)24(2,3)4)14-12-13-15-22-21(18-29-26(8,9)31-22)19-30-32(10,11)25(5,6)7/h12-13,20-22H,14-19H2,1-11H3/b13-12+/t20-,21-,22-/m1/s1
InChIKeyYZCMQIOJRCEUOF-VPFDIZEWSA-N
MW470.77 g/mol
LogP6.73
Rot. Bonds10

About [(E,3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylhept-5-enyl] 2,2-dimethylpropanoate

[(E,3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylhept-5-enyl] 2,2-dimethylpropanoate (PubChem CID 10390002) has the molecular formula C26H50O5Si and a molecular weight of 470.77 g/mol. Its IUPAC name is [(E,3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylhept-5-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(E,3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylhept-5-enyl] 2,2-dimethylpropanoate
PubChem CID10390002
Molecular FormulaC26H50O5Si
Molecular Weight470.77 g/mol
Exact Mass470.34
IUPAC Name[(E,3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylhept-5-enyl] 2,2-dimethylpropanoate
SMILESC[C@H](C/C=C/C[C@H]1OC(C)(C)OC[C@@H]1CO[Si](C)(C)C(C)(C)C)CCOC(=O)C(C)(C)C
InChIInChI=1S/C26H50O5Si/c1-20(16-17-28-23(27)24(2,3)4)14-12-13-15-22-21(18-29-26(8,9)31-22)19-30-32(10,11)25(5,6)7/h12-13,20-22H,14-19H2,1-11H3/b13-12+/t20-,21-,22-/m1/s1
InChIKeyYZCMQIOJRCEUOF-VPFDIZEWSA-N
XLogP6.73
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.77
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(E,3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylhept-5-enyl] 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

[(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
(2R,4R,5S)-4-t-butyldimethylsiloxymethyl-5-[(Z)-6-methoxycarbonyl-2-hexenyl]-2-methyl-1,3-dioxane
CID 14621467
methyl (Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate
CID 70399129
methyl (Z)-7-[2-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate
CID 70399185
methyl 7-[(2R,4R,5S)-4-tert-butyl-2-(dimethylsilyloxymethyl)-2-methyl-1,3-dioxan-5-yl]hept-5-enoate
CID 173388951
Methyl 7-[4-tert-butyl-2-(dimethylsilyloxymethyl)-2-methyl-1,3-dioxan-5-yl]hept-5-enoate
CID 173398637
[(E,3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylhept-6-enyl] 2,2-dimethylpropanoate
CID 10367471
tert-butyl [(Z,2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-5-en-3-yl] carbonate
CID 10834061
methyl (5Z,7E)-8-[(4R,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]octa-5,7-dienoate
CID 102518709

Frequently Asked Questions

What is the IUPAC name of [(E,3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylhept-5-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(E,3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylhept-5-enyl] 2,2-dimethylpropanoate (CID 10390002) is [(E,3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylhept-5-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(E,3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylhept-5-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(E,3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylhept-5-enyl] 2,2-dimethylpropanoate is C[C@H](C/C=C/C[C@H]1OC(C)(C)OC[C@@H]1CO[Si](C)(C)C(C)(C)C)CCOC(=O)C(C)(C)C.
What is the InChIKey of [(E,3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylhept-5-enyl] 2,2-dimethylpropanoate?
The InChIKey is YZCMQIOJRCEUOF-VPFDIZEWSA-N. The full InChI is InChI=1S/C26H50O5Si/c1-20(16-17-28-23(27)24(2,3)4)14-12-13-15-22-21(18-29-26(8,9)31-22)19-30-32(10,11)25(5,6)7/h12-13,20-22H,14-19H2,1-11H3/b13-12+/t20-,21-,22-/m1/s1.
What are the key properties of [(E,3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylhept-5-enyl] 2,2-dimethylpropanoate?
[(E,3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylhept-5-enyl] 2,2-dimethylpropanoate has a molecular weight of 470.77 g/mol, XLogP of 6.73, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylhept-5-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10390002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).