methyl (2Z,4E,6R,9S)-10-(1-ethoxyethoxy)-3,9-dimethyl-6-tri(propan-2-yl)silyloxydeca-2,4-dienoate

C26H50O5Si — CID 25213351

IUPACmethyl (2Z,4E,6R,9S)-10-(1-ethoxyethoxy)-3,9-dimethyl-6-tri(propan-2-yl)silyloxydeca-2,4-dienoate
SMILESCCOC(C)OC[C@@H](C)CC[C@H](/C=C/C(C)=C\C(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H50O5Si/c1-12-29-24(10)30-18-23(9)14-16-25(15-13-22(8)17-26(27)28-11)31-32(19(2)3,20(4)5)21(6)7/h13,15,17,19-21,23-25H,12,14,16,18H2,1-11H3/b15-13+,22-17-/t23-,24?,25-/m0/s1
InChIKeyMPGWMPBENFBCEU-ZUTMSDKOSA-N
MW470.77 g/mol
LogP7.04
Rot. Bonds16

About methyl (2Z,4E,6R,9S)-10-(1-ethoxyethoxy)-3,9-dimethyl-6-tri(propan-2-yl)silyloxydeca-2,4-dienoate

methyl (2Z,4E,6R,9S)-10-(1-ethoxyethoxy)-3,9-dimethyl-6-tri(propan-2-yl)silyloxydeca-2,4-dienoate (PubChem CID 25213351) has the molecular formula C26H50O5Si and a molecular weight of 470.77 g/mol. Its IUPAC name is methyl (2Z,4E,6R,9S)-10-(1-ethoxyethoxy)-3,9-dimethyl-6-tri(propan-2-yl)silyloxydeca-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2Z,4E,6R,9S)-10-(1-ethoxyethoxy)-3,9-dimethyl-6-tri(propan-2-yl)silyloxydeca-2,4-dienoate
PubChem CID25213351
Molecular FormulaC26H50O5Si
Molecular Weight470.77 g/mol
Exact Mass470.34
IUPAC Namemethyl (2Z,4E,6R,9S)-10-(1-ethoxyethoxy)-3,9-dimethyl-6-tri(propan-2-yl)silyloxydeca-2,4-dienoate
SMILESCCOC(C)OC[C@@H](C)CC[C@H](/C=C/C(C)=C\C(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H50O5Si/c1-12-29-24(10)30-18-23(9)14-16-25(15-13-22(8)17-26(27)28-11)31-32(19(2)3,20(4)5)21(6)7/h13,15,17,19-21,23-25H,12,14,16,18H2,1-11H3/b15-13+,22-17-/t23-,24?,25-/m0/s1
InChIKeyMPGWMPBENFBCEU-ZUTMSDKOSA-N
XLogP7.04
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.77
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z,4E,6R,9S)-10-(1-ethoxyethoxy)-3,9-dimethyl-6-tri(propan-2-yl)silyloxydeca-2,4-dienoate?
The IUPAC name of methyl (2Z,4E,6R,9S)-10-(1-ethoxyethoxy)-3,9-dimethyl-6-tri(propan-2-yl)silyloxydeca-2,4-dienoate (CID 25213351) is methyl (2Z,4E,6R,9S)-10-(1-ethoxyethoxy)-3,9-dimethyl-6-tri(propan-2-yl)silyloxydeca-2,4-dienoate.
What is the SMILES notation for methyl (2Z,4E,6R,9S)-10-(1-ethoxyethoxy)-3,9-dimethyl-6-tri(propan-2-yl)silyloxydeca-2,4-dienoate?
The canonical SMILES for methyl (2Z,4E,6R,9S)-10-(1-ethoxyethoxy)-3,9-dimethyl-6-tri(propan-2-yl)silyloxydeca-2,4-dienoate is CCOC(C)OC[C@@H](C)CC[C@H](/C=C/C(C)=C\C(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl (2Z,4E,6R,9S)-10-(1-ethoxyethoxy)-3,9-dimethyl-6-tri(propan-2-yl)silyloxydeca-2,4-dienoate?
The InChIKey is MPGWMPBENFBCEU-ZUTMSDKOSA-N. The full InChI is InChI=1S/C26H50O5Si/c1-12-29-24(10)30-18-23(9)14-16-25(15-13-22(8)17-26(27)28-11)31-32(19(2)3,20(4)5)21(6)7/h13,15,17,19-21,23-25H,12,14,16,18H2,1-11H3/b15-13+,22-17-/t23-,24?,25-/m0/s1.
What are the key properties of methyl (2Z,4E,6R,9S)-10-(1-ethoxyethoxy)-3,9-dimethyl-6-tri(propan-2-yl)silyloxydeca-2,4-dienoate?
methyl (2Z,4E,6R,9S)-10-(1-ethoxyethoxy)-3,9-dimethyl-6-tri(propan-2-yl)silyloxydeca-2,4-dienoate has a molecular weight of 470.77 g/mol, XLogP of 7.04, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,4E,6R,9S)-10-(1-ethoxyethoxy)-3,9-dimethyl-6-tri(propan-2-yl)silyloxydeca-2,4-dienoate is sourced from PubChem (CID 25213351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).