3-Diisopropylsilyloxyhex-4-yne

C12H23OSi — CID 6327730

IUPAC—
SMILESCC#CC(CC)O[Si](C(C)C)C(C)C
InChIInChI=1S/C12H23OSi/c1-7-9-12(8-2)13-14(10(3)4)11(5)6/h10-12H,8H2,1-6H3
InChIKeyXHMIZKUSSAGBGN-UHFFFAOYSA-N
MW211.40 g/mol
LogP3.62
Rot. Bonds5

About 3-Diisopropylsilyloxyhex-4-yne

3-Diisopropylsilyloxyhex-4-yne (PubChem CID 6327730) has the molecular formula C12H23OSi and a molecular weight of 211.40 g/mol.

Molecular Properties

Compound Name3-Diisopropylsilyloxyhex-4-yne
PubChem CID6327730
Molecular FormulaC12H23OSi
Molecular Weight211.40 g/mol
Exact Mass211.15
IUPAC Name—
SMILESCC#CC(CC)O[Si](C(C)C)C(C)C
InChIInChI=1S/C12H23OSi/c1-7-9-12(8-2)13-14(10(3)4)11(5)6/h10-12H,8H2,1-6H3
InChIKeyXHMIZKUSSAGBGN-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-Diisopropylsilyloxyhex-4-yne 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

3-(Trimethylsilyloxy)-1-butyne
CID 28817
(But-3-yn-1-yloxy)(tert-butyl)dimethylsilane
CID 4304567
2-tert-Butyldimethylsiloxybut-3-yne
CID 11030500
Silane, trimethyl[3-[(trimethylsilyl)oxy]-1-propynyl]-
CID 359338
Isopropoxy(triethyl) silane
CID 262867
2-Butanol, tert-butyldimethylsilyl ether
CID 14897891
Silane, (1,1-dimethylethyl)dimethyl(1-methylethoxy)-
CID 15696081
[(2S)-but-3-yn-2-yl]oxy-trimethylsilane
CID 10953626
2-Butoxy(triethyl)silane
CID 594352
Triisopropyl-prop-2-ynyloxy-silane
CID 10932773
Silane, triethyl(2-propynyloxy)-
CID 11252306
Trimethyl[4-[(trimethylsilyl)oxy]-1-butynyl]silane
CID 11745995

Frequently Asked Questions

What is the IUPAC name of 3-Diisopropylsilyloxyhex-4-yne?
The IUPAC name of 3-Diisopropylsilyloxyhex-4-yne (CID 6327730) is not available.
What is the SMILES notation for 3-Diisopropylsilyloxyhex-4-yne?
The canonical SMILES for 3-Diisopropylsilyloxyhex-4-yne is CC#CC(CC)O[Si](C(C)C)C(C)C.
What is the InChIKey of 3-Diisopropylsilyloxyhex-4-yne?
The InChIKey is XHMIZKUSSAGBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23OSi/c1-7-9-12(8-2)13-14(10(3)4)11(5)6/h10-12H,8H2,1-6H3.
What are the key properties of 3-Diisopropylsilyloxyhex-4-yne?
3-Diisopropylsilyloxyhex-4-yne has a molecular weight of 211.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Diisopropylsilyloxyhex-4-yne is sourced from PubChem (CID 6327730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).