ethyl (E)-9,9-dimethyl-5,10-dioxo-11-tri(propan-2-yl)silyloxyundec-2-enoate

C24H44O5Si — CID 42646671

IUPACethyl (E)-9,9-dimethyl-5,10-dioxo-11-tri(propan-2-yl)silyloxyundec-2-enoate
SMILESCCOC(=O)/C=C/CC(=O)CCCC(C)(C)C(=O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H44O5Si/c1-10-28-23(27)15-11-13-21(25)14-12-16-24(8,9)22(26)17-29-30(18(2)3,19(4)5)20(6)7/h11,15,18-20H,10,12-14,16-17H2,1-9H3/b15-11+
InChIKeySMCDGDILRFVDMN-RVDMUPIBSA-N
MW440.70 g/mol
LogP6.02
Rot. Bonds15

About ethyl (E)-9,9-dimethyl-5,10-dioxo-11-tri(propan-2-yl)silyloxyundec-2-enoate

ethyl (E)-9,9-dimethyl-5,10-dioxo-11-tri(propan-2-yl)silyloxyundec-2-enoate (PubChem CID 42646671) has the molecular formula C24H44O5Si and a molecular weight of 440.70 g/mol. Its IUPAC name is ethyl (E)-9,9-dimethyl-5,10-dioxo-11-tri(propan-2-yl)silyloxyundec-2-enoate.

Molecular Properties

Compound Nameethyl (E)-9,9-dimethyl-5,10-dioxo-11-tri(propan-2-yl)silyloxyundec-2-enoate
PubChem CID42646671
Molecular FormulaC24H44O5Si
Molecular Weight440.70 g/mol
Exact Mass440.30
IUPAC Nameethyl (E)-9,9-dimethyl-5,10-dioxo-11-tri(propan-2-yl)silyloxyundec-2-enoate
SMILESCCOC(=O)/C=C/CC(=O)CCCC(C)(C)C(=O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H44O5Si/c1-10-28-23(27)15-11-13-21(25)14-12-16-24(8,9)22(26)17-29-30(18(2)3,19(4)5)20(6)7/h11,15,18-20H,10,12-14,16-17H2,1-9H3/b15-11+
InChIKeySMCDGDILRFVDMN-RVDMUPIBSA-N
XLogP6.02
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.70
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-9,9-dimethyl-5,10-dioxo-11-tri(propan-2-yl)silyloxyundec-2-enoate?
The IUPAC name of ethyl (E)-9,9-dimethyl-5,10-dioxo-11-tri(propan-2-yl)silyloxyundec-2-enoate (CID 42646671) is ethyl (E)-9,9-dimethyl-5,10-dioxo-11-tri(propan-2-yl)silyloxyundec-2-enoate.
What is the SMILES notation for ethyl (E)-9,9-dimethyl-5,10-dioxo-11-tri(propan-2-yl)silyloxyundec-2-enoate?
The canonical SMILES for ethyl (E)-9,9-dimethyl-5,10-dioxo-11-tri(propan-2-yl)silyloxyundec-2-enoate is CCOC(=O)/C=C/CC(=O)CCCC(C)(C)C(=O)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethyl (E)-9,9-dimethyl-5,10-dioxo-11-tri(propan-2-yl)silyloxyundec-2-enoate?
The InChIKey is SMCDGDILRFVDMN-RVDMUPIBSA-N. The full InChI is InChI=1S/C24H44O5Si/c1-10-28-23(27)15-11-13-21(25)14-12-16-24(8,9)22(26)17-29-30(18(2)3,19(4)5)20(6)7/h11,15,18-20H,10,12-14,16-17H2,1-9H3/b15-11+.
What are the key properties of ethyl (E)-9,9-dimethyl-5,10-dioxo-11-tri(propan-2-yl)silyloxyundec-2-enoate?
ethyl (E)-9,9-dimethyl-5,10-dioxo-11-tri(propan-2-yl)silyloxyundec-2-enoate has a molecular weight of 440.70 g/mol, XLogP of 6.02, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-9,9-dimethyl-5,10-dioxo-11-tri(propan-2-yl)silyloxyundec-2-enoate is sourced from PubChem (CID 42646671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).