1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol

C12H21ClOSi — CID 10955814

IUPAC1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol
SMILESC[Si](C)(C)C#CC(Cl)C1(O)CCCCC1
InChIInChI=1S/C12H21ClOSi/c1-15(2,3)10-7-11(13)12(14)8-5-4-6-9-12/h11,14H,4-6,8-9H2,1-3H3
InChIKeyKYKQFFIOKBMMFG-UHFFFAOYSA-N
MW244.84 g/mol
LogP3.17
Rot. Bonds1

About 1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol

1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol (PubChem CID 10955814) has the molecular formula C12H21ClOSi and a molecular weight of 244.84 g/mol. Its IUPAC name is 1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol
PubChem CID10955814
Molecular FormulaC12H21ClOSi
Molecular Weight244.84 g/mol
Exact Mass244.11
IUPAC Name1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol
SMILESC[Si](C)(C)C#CC(Cl)C1(O)CCCCC1
InChIInChI=1S/C12H21ClOSi/c1-15(2,3)10-7-11(13)12(14)8-5-4-6-9-12/h11,14H,4-6,8-9H2,1-3H3
InChIKeyKYKQFFIOKBMMFG-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.84
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol?
The IUPAC name of 1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol (CID 10955814) is 1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol is C[Si](C)(C)C#CC(Cl)C1(O)CCCCC1.
What is the InChIKey of 1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol?
The InChIKey is KYKQFFIOKBMMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClOSi/c1-15(2,3)10-7-11(13)12(14)8-5-4-6-9-12/h11,14H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol?
1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol has a molecular weight of 244.84 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol is sourced from PubChem (CID 10955814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).