1-[2,4-bis(trimethylsilyl)but-3-ynyl]cyclopentan-1-ol

C15H30OSi2 — CID 166438594

IUPAC1-[2,4-bis(trimethylsilyl)but-3-ynyl]cyclopentan-1-ol
SMILESC[Si](C)(C)C#CC(CC1(O)CCCC1)[Si](C)(C)C
InChIInChI=1S/C15H30OSi2/c1-17(2,3)12-9-14(18(4,5)6)13-15(16)10-7-8-11-15/h14,16H,7-8,10-11,13H2,1-6H3
InChIKeyYWMIKDFNNHDFCX-UHFFFAOYSA-N
MW282.58 g/mol
LogP4.27
Rot. Bonds3

About 1-[2,4-bis(trimethylsilyl)but-3-ynyl]cyclopentan-1-ol

1-[2,4-bis(trimethylsilyl)but-3-ynyl]cyclopentan-1-ol (PubChem CID 166438594) has the molecular formula C15H30OSi2 and a molecular weight of 282.58 g/mol. Its IUPAC name is 1-[2,4-bis(trimethylsilyl)but-3-ynyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2,4-bis(trimethylsilyl)but-3-ynyl]cyclopentan-1-ol
PubChem CID166438594
Molecular FormulaC15H30OSi2
Molecular Weight282.58 g/mol
Exact Mass282.18
IUPAC Name1-[2,4-bis(trimethylsilyl)but-3-ynyl]cyclopentan-1-ol
SMILESC[Si](C)(C)C#CC(CC1(O)CCCC1)[Si](C)(C)C
InChIInChI=1S/C15H30OSi2/c1-17(2,3)12-9-14(18(4,5)6)13-15(16)10-7-8-11-15/h14,16H,7-8,10-11,13H2,1-6H3
InChIKeyYWMIKDFNNHDFCX-UHFFFAOYSA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.58
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

5-(2-Trimethylsilylethynyl)nonan-5-ol
CID 12125188
3-Ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol
CID 166442138
1-[2-[Fluoro(dimethyl)silyl]ethyl]cyclopentan-1-ol
CID 45098643
4-Propyl-1-(trimethylsilyl)-1-heptyn-4-ol
CID 12653261
4-Trimethylsilylethynyl-1-octyn-4-ol
CID 12786193
1-[2-(Trimethylsilyl)ethynyl]cyclopentan-1-ol
CID 15699925
1-Trimethylsilylmethylcyclopentanol
CID 23496719
1-(2-Trimethylsilylethyl)cyclopentanol
CID 23496723
4-(2-Trimethylsilylethynyl)nonan-4-ol
CID 54425784
4-Methyl-1-triethylsilyloct-1-yn-4-ol
CID 85976280
(4S)-4-methyl-1-triethylsilyloct-1-yn-4-ol
CID 88832509
1-(1-Trimethylsilylprop-2-ynyl)cyclopentan-1-ol
CID 140134543

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(trimethylsilyl)but-3-ynyl]cyclopentan-1-ol?
The IUPAC name of 1-[2,4-bis(trimethylsilyl)but-3-ynyl]cyclopentan-1-ol (CID 166438594) is 1-[2,4-bis(trimethylsilyl)but-3-ynyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2,4-bis(trimethylsilyl)but-3-ynyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2,4-bis(trimethylsilyl)but-3-ynyl]cyclopentan-1-ol is C[Si](C)(C)C#CC(CC1(O)CCCC1)[Si](C)(C)C.
What is the InChIKey of 1-[2,4-bis(trimethylsilyl)but-3-ynyl]cyclopentan-1-ol?
The InChIKey is YWMIKDFNNHDFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30OSi2/c1-17(2,3)12-9-14(18(4,5)6)13-15(16)10-7-8-11-15/h14,16H,7-8,10-11,13H2,1-6H3.
What are the key properties of 1-[2,4-bis(trimethylsilyl)but-3-ynyl]cyclopentan-1-ol?
1-[2,4-bis(trimethylsilyl)but-3-ynyl]cyclopentan-1-ol has a molecular weight of 282.58 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(trimethylsilyl)but-3-ynyl]cyclopentan-1-ol is sourced from PubChem (CID 166438594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).