1-trimethylsilylundec-1-yn-6-one

C14H26OSi — CID 176819872

IUPAC1-trimethylsilylundec-1-yn-6-one
SMILESCCCCCC(=O)CCCC#C[Si](C)(C)C
InChIInChI=1S/C14H26OSi/c1-5-6-8-11-14(15)12-9-7-10-13-16(2,3)4/h5-9,11-12H2,1-4H3
InChIKeyQBIDRJAMDPWJIP-UHFFFAOYSA-N
MW238.45 g/mol
LogP4.19
Rot. Bonds7

About 1-trimethylsilylundec-1-yn-6-one

1-trimethylsilylundec-1-yn-6-one (PubChem CID 176819872) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is 1-trimethylsilylundec-1-yn-6-one.

Molecular Properties

Compound Name1-trimethylsilylundec-1-yn-6-one
PubChem CID176819872
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name1-trimethylsilylundec-1-yn-6-one
SMILESCCCCCC(=O)CCCC#C[Si](C)(C)C
InChIInChI=1S/C14H26OSi/c1-5-6-8-11-14(15)12-9-7-10-13-16(2,3)4/h5-9,11-12H2,1-4H3
InChIKeyQBIDRJAMDPWJIP-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-trimethylsilylundec-1-yn-6-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

bis(copper(1+));bis(hex-1-ynyl(trimethyl)silane);oxalate
CID 173167461
10-oxohexadec-2-ynoic acid
CID 123950800
nonadecan-7-one
CID 12913434
pentacosane-7,19-dione
CID 139254510
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
trimethylsilyl 6-trimethylsilylhex-5-ynoate
CID 102423041
dodecan-5-one
CID 29771
1-trimethylsilylundec-1-yn-3-one
CID 14798469

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylundec-1-yn-6-one?
The IUPAC name of 1-trimethylsilylundec-1-yn-6-one (CID 176819872) is 1-trimethylsilylundec-1-yn-6-one.
What is the SMILES notation for 1-trimethylsilylundec-1-yn-6-one?
The canonical SMILES for 1-trimethylsilylundec-1-yn-6-one is CCCCCC(=O)CCCC#C[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylundec-1-yn-6-one?
The InChIKey is QBIDRJAMDPWJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OSi/c1-5-6-8-11-14(15)12-9-7-10-13-16(2,3)4/h5-9,11-12H2,1-4H3.
What are the key properties of 1-trimethylsilylundec-1-yn-6-one?
1-trimethylsilylundec-1-yn-6-one has a molecular weight of 238.45 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylundec-1-yn-6-one is sourced from PubChem (CID 176819872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).