1-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol

C13H20O2Si — CID 10466659

IUPAC1-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol
SMILESC[Si](C)(C)C#CC#CC1(O)CCC(O)CC1
InChIInChI=1S/C13H20O2Si/c1-16(2,3)11-5-4-8-13(15)9-6-12(14)7-10-13/h12,14-15H,6-7,9-10H2,1-3H3
InChIKeyAKRIRAKXCBWOOM-UHFFFAOYSA-N
MW236.39 g/mol
LogP1.54
Rot. Bonds

About 1-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol

1-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol (PubChem CID 10466659) has the molecular formula C13H20O2Si and a molecular weight of 236.39 g/mol. Its IUPAC name is 1-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol.

Molecular Properties

Compound Name1-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol
PubChem CID10466659
Molecular FormulaC13H20O2Si
Molecular Weight236.39 g/mol
Exact Mass236.12
IUPAC Name1-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol
SMILESC[Si](C)(C)C#CC#CC1(O)CCC(O)CC1
InChIInChI=1S/C13H20O2Si/c1-16(2,3)11-5-4-8-13(15)9-6-12(14)7-10-13/h12,14-15H,6-7,9-10H2,1-3H3
InChIKeyAKRIRAKXCBWOOM-UHFFFAOYSA-N
XLogP1.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol 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

1,4-Bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol
CID 10902927
(2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol
CID 102227332
4-((Tert-butyldimethylsilyl)oxy)-1-ethynylcyclohexanol
CID 59293774
4-[2-[Tert-butyl(dimethyl)silyl]oxyethynyl]cyclohexan-1-ol
CID 69044065
1-Prop-1-ynyl-4-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol
CID 10333577
4-[Tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol
CID 11097760
1-[3-Tri(propan-2-yl)silyloxybut-1-ynyl]cyclohexan-1-ol
CID 11645523
4-[Tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexan-1-ol
CID 102215203
4-Methoxy-1-prop-1-ynylcyclohexan-1-ol
CID 130515751

Frequently Asked Questions

What is the IUPAC name of 1-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol?
The IUPAC name of 1-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol (CID 10466659) is 1-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol.
What is the SMILES notation for 1-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol?
The canonical SMILES for 1-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol is C[Si](C)(C)C#CC#CC1(O)CCC(O)CC1.
What is the InChIKey of 1-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol?
The InChIKey is AKRIRAKXCBWOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2Si/c1-16(2,3)11-5-4-8-13(15)9-6-12(14)7-10-13/h12,14-15H,6-7,9-10H2,1-3H3.
What are the key properties of 1-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol?
1-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol has a molecular weight of 236.39 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol is sourced from PubChem (CID 10466659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).