(3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one

C20H38O2Si — CID 11739269

IUPAC(3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one
SMILESCC1/C=C(/O[Si](C)(C)C)CCCCCCCCCCCCC1=O
InChIInChI=1S/C20H38O2Si/c1-18-17-19(22-23(2,3)4)15-13-11-9-7-5-6-8-10-12-14-16-20(18)21/h17-18H,5-16H2,1-4H3/b19-17+
InChIKeyNLVIDOAJBSOESR-HTXNQAPBSA-N
MW338.61 g/mol
LogP6.62
Rot. Bonds2

About (3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one

(3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one (PubChem CID 11739269) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is (3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one.

Molecular Properties

Compound Name(3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one
PubChem CID11739269
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name(3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one
SMILESCC1/C=C(/O[Si](C)(C)C)CCCCCCCCCCCCC1=O
InChIInChI=1S/C20H38O2Si/c1-18-17-19(22-23(2,3)4)15-13-11-9-7-5-6-8-10-12-14-16-20(18)21/h17-18H,5-16H2,1-4H3/b19-17+
InChIKeyNLVIDOAJBSOESR-HTXNQAPBSA-N
XLogP6.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one 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

trimethyl-[[(2E,8E)-1-methyl-1-oxo-8-trimethylsilyloxy-4,5,6,7-tetrahydro-1λ5-phosphonin-3-yl]oxy]silane
CID 23415932
[(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane
CID 102257492
trimethyl-[3-(3-trimethylsilyloxycyclohex-2-en-1-yl)propyl]silane
CID 15505011
(3-butylcyclohexen-1-yl)oxy-trimethylsilane
CID 597983
3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yloxy(trimethyl)silane
CID 15609196
[(3R)-3-[(1S)-2-methoxy-1-nitroethyl]cyclohexen-1-yl]oxy-trimethylsilane
CID 101381097
[(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane
CID 15547914
triethyl-(3-methylcyclopentadecen-1-yl)oxysilane
CID 68818523
trimethyl-(3-thiophen-2-ylcyclohexen-1-yl)oxysilane
CID 10729521
[(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane
CID 101214644
trimethyl-(3-thiophen-3-ylcyclohexen-1-yl)oxysilane
CID 10562803
trimethyl-[(E)-3-trimethylsilyl-4-(3-trimethylsilyloxycyclohept-2-en-1-yl)but-3-en-1-ynyl]silane
CID 10762233

Frequently Asked Questions

What is the IUPAC name of (3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one?
The IUPAC name of (3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one (CID 11739269) is (3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one.
What is the SMILES notation for (3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one?
The canonical SMILES for (3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one is CC1/C=C(/O[Si](C)(C)C)CCCCCCCCCCCCC1=O.
What is the InChIKey of (3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one?
The InChIKey is NLVIDOAJBSOESR-HTXNQAPBSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-18-17-19(22-23(2,3)4)15-13-11-9-7-5-6-8-10-12-14-16-20(18)21/h17-18H,5-16H2,1-4H3/b19-17+.
What are the key properties of (3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one?
(3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one has a molecular weight of 338.61 g/mol, XLogP of 6.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one is sourced from PubChem (CID 11739269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).