[(Z,4R,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-enyl] 2,2-dimethylpropanoate

C27H56O4Si2 — CID 11730808

IUPAC[(Z,4R,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-enyl] 2,2-dimethylpropanoate
SMILESC/C(=C/[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C)COC(=O)C(C)(C)C
InChIInChI=1S/C27H56O4Si2/c1-20(18-29-24(28)25(4,5)6)17-21(2)23(31-33(15,16)27(10,11)12)22(3)19-30-32(13,14)26(7,8)9/h17,21-23H,18-19H2,1-16H3/b20-17-/t21-,22-,23+/m1/s1
InChIKeyODERKZSDOKZGAP-HVFIHJOKSA-N
MW500.91 g/mol
LogP8.21
Rot. Bonds10

About [(Z,4R,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-enyl] 2,2-dimethylpropanoate

[(Z,4R,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-enyl] 2,2-dimethylpropanoate (PubChem CID 11730808) has the molecular formula C27H56O4Si2 and a molecular weight of 500.91 g/mol. Its IUPAC name is [(Z,4R,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(Z,4R,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-enyl] 2,2-dimethylpropanoate
PubChem CID11730808
Molecular FormulaC27H56O4Si2
Molecular Weight500.91 g/mol
Exact Mass500.37
IUPAC Name[(Z,4R,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-enyl] 2,2-dimethylpropanoate
SMILESC/C(=C/[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C)COC(=O)C(C)(C)C
InChIInChI=1S/C27H56O4Si2/c1-20(18-29-24(28)25(4,5)6)17-21(2)23(31-33(15,16)27(10,11)12)22(3)19-30-32(13,14)26(7,8)9/h17,21-23H,18-19H2,1-16H3/b20-17-/t21-,22-,23+/m1/s1
InChIKeyODERKZSDOKZGAP-HVFIHJOKSA-N
XLogP8.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.91
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
CID 134971110
ethyl (E,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylhept-2-enoate
CID 11080521
methyl (2E,5R,6S,7S,8E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dienoate
CID 11259620
ethyl (2Z,4E,6R,7S)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnona-2,4-dienoate
CID 11619467
methyl (2Z,4E,6R,7S)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnona-2,4-dienoate
CID 25022837
(3S)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2,3-dihydropyran-6-one
CID 25186475
[(2S,4Z,6R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-8-oxo-2,3,6,7-tetrahydrooxocin-6-yl] acetate
CID 101340982
ethyl (2Z,4R,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylocta-2,6-dienoate
CID 134841576
ethyl (E,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylhept-2-enoate
CID 134845345
methyl (Z,4S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-enoate
CID 134886737
ethyl (2E,4E,6S,7S,8S)-7-acetyloxy-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-2,4-dienoate
CID 134982850
[(3S,4S)-3-methyl-4-[(Z)-3-[(1S,2R)-2-methylcyclopropyl]but-2-enoxy]-6-tri(propan-2-yl)silyloxyhex-1-en-2-yl] acetate
CID 138983040

Frequently Asked Questions

What is the IUPAC name of [(Z,4R,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(Z,4R,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-enyl] 2,2-dimethylpropanoate (CID 11730808) is [(Z,4R,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(Z,4R,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(Z,4R,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-enyl] 2,2-dimethylpropanoate is C/C(=C/[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C)COC(=O)C(C)(C)C.
What is the InChIKey of [(Z,4R,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-enyl] 2,2-dimethylpropanoate?
The InChIKey is ODERKZSDOKZGAP-HVFIHJOKSA-N. The full InChI is InChI=1S/C27H56O4Si2/c1-20(18-29-24(28)25(4,5)6)17-21(2)23(31-33(15,16)27(10,11)12)22(3)19-30-32(13,14)26(7,8)9/h17,21-23H,18-19H2,1-16H3/b20-17-/t21-,22-,23+/m1/s1.
What are the key properties of [(Z,4R,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-enyl] 2,2-dimethylpropanoate?
[(Z,4R,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-enyl] 2,2-dimethylpropanoate has a molecular weight of 500.91 g/mol, XLogP of 8.21, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,4R,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11730808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).