2-cyclopropyl-1,1,1-trifluoro-4-tri(propan-2-yl)silylbut-3-yn-2-ol

C16H27F3OSi — CID 59774929

IUPAC2-cyclopropyl-1,1,1-trifluoro-4-tri(propan-2-yl)silylbut-3-yn-2-ol
SMILESCC(C)[Si](C#CC(O)(C1CC1)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C16H27F3OSi/c1-11(2)21(12(3)4,13(5)6)10-9-15(20,14-7-8-14)16(17,18)19/h11-14,20H,7-8H2,1-6H3
InChIKeyOKCKFSIPTQZSIU-UHFFFAOYSA-N
MW320.47 g/mol
LogP4.91
Rot. Bonds4

About 2-cyclopropyl-1,1,1-trifluoro-4-tri(propan-2-yl)silylbut-3-yn-2-ol

2-cyclopropyl-1,1,1-trifluoro-4-tri(propan-2-yl)silylbut-3-yn-2-ol (PubChem CID 59774929) has the molecular formula C16H27F3OSi and a molecular weight of 320.47 g/mol. Its IUPAC name is 2-cyclopropyl-1,1,1-trifluoro-4-tri(propan-2-yl)silylbut-3-yn-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-1,1,1-trifluoro-4-tri(propan-2-yl)silylbut-3-yn-2-ol
PubChem CID59774929
Molecular FormulaC16H27F3OSi
Molecular Weight320.47 g/mol
Exact Mass320.18
IUPAC Name2-cyclopropyl-1,1,1-trifluoro-4-tri(propan-2-yl)silylbut-3-yn-2-ol
SMILESCC(C)[Si](C#CC(O)(C1CC1)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C16H27F3OSi/c1-11(2)21(12(3)4,13(5)6)10-9-15(20,14-7-8-14)16(17,18)19/h11-14,20H,7-8H2,1-6H3
InChIKeyOKCKFSIPTQZSIU-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 54.91
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1,1,1-trifluoro-4-tri(propan-2-yl)silylbut-3-yn-2-ol?
The IUPAC name of 2-cyclopropyl-1,1,1-trifluoro-4-tri(propan-2-yl)silylbut-3-yn-2-ol (CID 59774929) is 2-cyclopropyl-1,1,1-trifluoro-4-tri(propan-2-yl)silylbut-3-yn-2-ol.
What is the SMILES notation for 2-cyclopropyl-1,1,1-trifluoro-4-tri(propan-2-yl)silylbut-3-yn-2-ol?
The canonical SMILES for 2-cyclopropyl-1,1,1-trifluoro-4-tri(propan-2-yl)silylbut-3-yn-2-ol is CC(C)[Si](C#CC(O)(C1CC1)C(F)(F)F)(C(C)C)C(C)C.
What is the InChIKey of 2-cyclopropyl-1,1,1-trifluoro-4-tri(propan-2-yl)silylbut-3-yn-2-ol?
The InChIKey is OKCKFSIPTQZSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3OSi/c1-11(2)21(12(3)4,13(5)6)10-9-15(20,14-7-8-14)16(17,18)19/h11-14,20H,7-8H2,1-6H3.
What are the key properties of 2-cyclopropyl-1,1,1-trifluoro-4-tri(propan-2-yl)silylbut-3-yn-2-ol?
2-cyclopropyl-1,1,1-trifluoro-4-tri(propan-2-yl)silylbut-3-yn-2-ol has a molecular weight of 320.47 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,1,1-trifluoro-4-tri(propan-2-yl)silylbut-3-yn-2-ol is sourced from PubChem (CID 59774929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).