1,4-bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol

C16H28O2Si2 — CID 10902927

IUPAC1,4-bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol
SMILESC[Si](C)(C)C#CC1(O)CCC(O)(C#C[Si](C)(C)C)CC1
InChIInChI=1S/C16H28O2Si2/c1-19(2,3)13-11-15(17)7-9-16(18,10-8-15)12-14-20(4,5)6/h17-18H,7-10H2,1-6H3
InChIKeyOSPFQFVVXBMDTB-UHFFFAOYSA-N
MW308.57 g/mol
LogP2.78
Rot. Bonds

About 1,4-bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol

1,4-bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol (PubChem CID 10902927) has the molecular formula C16H28O2Si2 and a molecular weight of 308.57 g/mol. Its IUPAC name is 1,4-bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol.

Molecular Properties

Compound Name1,4-bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol
PubChem CID10902927
Molecular FormulaC16H28O2Si2
Molecular Weight308.57 g/mol
Exact Mass308.16
IUPAC Name1,4-bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol
SMILESC[Si](C)(C)C#CC1(O)CCC(O)(C#C[Si](C)(C)C)CC1
InChIInChI=1S/C16H28O2Si2/c1-19(2,3)13-11-15(17)7-9-16(18,10-8-15)12-14-20(4,5)6/h17-18H,7-10H2,1-6H3
InChIKeyOSPFQFVVXBMDTB-UHFFFAOYSA-N
XLogP2.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 52.78
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'}

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Related Compounds

1-Propan-2-yl-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-ol
CID 138982718
1-[2-Tri(propan-2-yl)silylethynyl]cyclohexan-1-ol
CID 91092445
4-Methoxy-4-methyl-1-(trimethylsilylmethyl)cyclohexan-1-ol
CID 10105277
1-Prop-1-ynyl-4-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol
CID 10333577
1-(4-Trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol
CID 10466659

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol?
The IUPAC name of 1,4-bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol (CID 10902927) is 1,4-bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol.
What is the SMILES notation for 1,4-bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol?
The canonical SMILES for 1,4-bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol is C[Si](C)(C)C#CC1(O)CCC(O)(C#C[Si](C)(C)C)CC1.
What is the InChIKey of 1,4-bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol?
The InChIKey is OSPFQFVVXBMDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si2/c1-19(2,3)13-11-15(17)7-9-16(18,10-8-15)12-14-20(4,5)6/h17-18H,7-10H2,1-6H3.
What are the key properties of 1,4-bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol?
1,4-bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol has a molecular weight of 308.57 g/mol, XLogP of 2.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol is sourced from PubChem (CID 10902927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).