1-[[(E)-4-[dimethyl(undecanoyl)silyl]but-2-enyl]-dimethylsilyl]undecan-1-one

C30H60O2Si2 — CID 101482124

IUPAC1-[[(E)-4-[dimethyl(undecanoyl)silyl]but-2-enyl]-dimethylsilyl]undecan-1-one
SMILESCCCCCCCCCCC(=O)[Si](C)(C)C/C=C/C[Si](C)(C)C(=O)CCCCCCCCCC
InChIInChI=1S/C30H60O2Si2/c1-7-9-11-13-15-17-19-21-25-29(31)33(3,4)27-23-24-28-34(5,6)30(32)26-22-20-18-16-14-12-10-8-2/h23-24H,7-22,25-28H2,1-6H3/b24-23+
InChIKeyMXNVMYFEXLNMDH-WCWDXBQESA-N
MW508.98 g/mol
LogP10.24
Rot. Bonds24

About 1-[[(E)-4-[dimethyl(undecanoyl)silyl]but-2-enyl]-dimethylsilyl]undecan-1-one

1-[[(E)-4-[dimethyl(undecanoyl)silyl]but-2-enyl]-dimethylsilyl]undecan-1-one (PubChem CID 101482124) has the molecular formula C30H60O2Si2 and a molecular weight of 508.98 g/mol. Its IUPAC name is 1-[[(E)-4-[dimethyl(undecanoyl)silyl]but-2-enyl]-dimethylsilyl]undecan-1-one.

Molecular Properties

Compound Name1-[[(E)-4-[dimethyl(undecanoyl)silyl]but-2-enyl]-dimethylsilyl]undecan-1-one
PubChem CID101482124
Molecular FormulaC30H60O2Si2
Molecular Weight508.98 g/mol
Exact Mass508.41
IUPAC Name1-[[(E)-4-[dimethyl(undecanoyl)silyl]but-2-enyl]-dimethylsilyl]undecan-1-one
SMILESCCCCCCCCCCC(=O)[Si](C)(C)C/C=C/C[Si](C)(C)C(=O)CCCCCCCCCC
InChIInChI=1S/C30H60O2Si2/c1-7-9-11-13-15-17-19-21-25-29(31)33(3,4)27-23-24-28-34(5,6)30(32)26-22-20-18-16-14-12-10-8-2/h23-24H,7-22,25-28H2,1-6H3/b24-23+
InChIKeyMXNVMYFEXLNMDH-WCWDXBQESA-N
XLogP10.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.98
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[heptanoyl(dimethyl)silyl]heptan-1-one
CID 154188501
N-iodooctanamide
CID 19040107
octacosan-8-one
CID 86052342
pentacosane-7,19-dione
CID 139254510
nonatriacontane-16,17-dione
CID 175447711
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octadecane-9,10-dione
CID 10902085
pentacosan-7-one
CID 54551687
trimethylsilyl (E)-octadec-11-enoate
CID 5366419

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-4-[dimethyl(undecanoyl)silyl]but-2-enyl]-dimethylsilyl]undecan-1-one?
The IUPAC name of 1-[[(E)-4-[dimethyl(undecanoyl)silyl]but-2-enyl]-dimethylsilyl]undecan-1-one (CID 101482124) is 1-[[(E)-4-[dimethyl(undecanoyl)silyl]but-2-enyl]-dimethylsilyl]undecan-1-one.
What is the SMILES notation for 1-[[(E)-4-[dimethyl(undecanoyl)silyl]but-2-enyl]-dimethylsilyl]undecan-1-one?
The canonical SMILES for 1-[[(E)-4-[dimethyl(undecanoyl)silyl]but-2-enyl]-dimethylsilyl]undecan-1-one is CCCCCCCCCCC(=O)[Si](C)(C)C/C=C/C[Si](C)(C)C(=O)CCCCCCCCCC.
What is the InChIKey of 1-[[(E)-4-[dimethyl(undecanoyl)silyl]but-2-enyl]-dimethylsilyl]undecan-1-one?
The InChIKey is MXNVMYFEXLNMDH-WCWDXBQESA-N. The full InChI is InChI=1S/C30H60O2Si2/c1-7-9-11-13-15-17-19-21-25-29(31)33(3,4)27-23-24-28-34(5,6)30(32)26-22-20-18-16-14-12-10-8-2/h23-24H,7-22,25-28H2,1-6H3/b24-23+.
What are the key properties of 1-[[(E)-4-[dimethyl(undecanoyl)silyl]but-2-enyl]-dimethylsilyl]undecan-1-one?
1-[[(E)-4-[dimethyl(undecanoyl)silyl]but-2-enyl]-dimethylsilyl]undecan-1-one has a molecular weight of 508.98 g/mol, XLogP of 10.24, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-4-[dimethyl(undecanoyl)silyl]but-2-enyl]-dimethylsilyl]undecan-1-one is sourced from PubChem (CID 101482124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).