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

C16H22O2Si — CID 10333577

IUPAC1-prop-1-ynyl-4-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol
SMILESCC#CC1(O)CCC(O)(C#CC#C[Si](C)(C)C)CC1
InChIInChI=1S/C16H22O2Si/c1-5-8-15(17)10-12-16(18,13-11-15)9-6-7-14-19(2,3)4/h17-18H,10-13H2,1-4H3
InChIKeyXVQWSKVKUGXVCA-UHFFFAOYSA-N
MW274.44 g/mol
LogP1.93
Rot. Bonds

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

1-prop-1-ynyl-4-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol (PubChem CID 10333577) has the molecular formula C16H22O2Si and a molecular weight of 274.44 g/mol. Its IUPAC name is 1-prop-1-ynyl-4-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol.

Molecular Properties

Compound Name1-prop-1-ynyl-4-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol
PubChem CID10333577
Molecular FormulaC16H22O2Si
Molecular Weight274.44 g/mol
Exact Mass274.14
IUPAC Name1-prop-1-ynyl-4-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol
SMILESCC#CC1(O)CCC(O)(C#CC#C[Si](C)(C)C)CC1
InChIInChI=1S/C16H22O2Si/c1-5-8-15(17)10-12-16(18,13-11-15)9-6-7-14-19(2,3)4/h17-18H,10-13H2,1-4H3
InChIKeyXVQWSKVKUGXVCA-UHFFFAOYSA-N
XLogP1.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 51.93
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-Trimethylsilanylethynyl-cyclohexanol
CID 205445
1-(3-Methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol
CID 10243305
Cyclohexanol, 1-[3-(trimethylsilyl)-1-propynyl]-
CID 10856759
1,4-Bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol
CID 10902927
4-((Tert-butyldimethylsilyl)oxy)-1-ethynylcyclohexanol
CID 59293774
1-[2-Tri(propan-2-yl)silylethynyl]cyclohexan-1-ol
CID 91092445
4-Methoxy-4-methyl-1-(trimethylsilylmethyl)cyclohexan-1-ol
CID 10105277
1-(4-Trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol
CID 10466659
1-[2-[Tert-butyl(dimethyl)silyl]ethynyl]cyclohexan-1-ol
CID 15526807
1-(2-Triethylsilylethynyl)cyclohexanol
CID 15526810

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-ynyl-4-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol?
The IUPAC name of 1-prop-1-ynyl-4-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol (CID 10333577) is 1-prop-1-ynyl-4-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol.
What is the SMILES notation for 1-prop-1-ynyl-4-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol?
The canonical SMILES for 1-prop-1-ynyl-4-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol is CC#CC1(O)CCC(O)(C#CC#C[Si](C)(C)C)CC1.
What is the InChIKey of 1-prop-1-ynyl-4-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol?
The InChIKey is XVQWSKVKUGXVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2Si/c1-5-8-15(17)10-12-16(18,13-11-15)9-6-7-14-19(2,3)4/h17-18H,10-13H2,1-4H3.
What are the key properties of 1-prop-1-ynyl-4-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol?
1-prop-1-ynyl-4-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol has a molecular weight of 274.44 g/mol, XLogP of 1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-ynyl-4-(4-trimethylsilylbuta-1,3-diynyl)cyclohexane-1,4-diol is sourced from PubChem (CID 10333577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).