1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol

C18H32F2OSi — CID 15495761

IUPAC1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol
SMILESCC(C)[Si](C#CC(F)(F)C1(O)CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C18H32F2OSi/c1-14(2)22(15(3)4,16(5)6)13-12-18(19,20)17(21)10-8-7-9-11-17/h14-16,21H,7-11H2,1-6H3
InChIKeyOFWKIAVTJYIJMT-UHFFFAOYSA-N
MW330.54 g/mol
LogP5.54
Rot. Bonds4

About 1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol

1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol (PubChem CID 15495761) has the molecular formula C18H32F2OSi and a molecular weight of 330.54 g/mol. Its IUPAC name is 1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol
PubChem CID15495761
Molecular FormulaC18H32F2OSi
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol
SMILESCC(C)[Si](C#CC(F)(F)C1(O)CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C18H32F2OSi/c1-14(2)22(15(3)4,16(5)6)13-12-18(19,20)17(21)10-8-7-9-11-17/h14-16,21H,7-11H2,1-6H3
InChIKeyOFWKIAVTJYIJMT-UHFFFAOYSA-N
XLogP5.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.54
LogP ≤ 55.54
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'}

Analyze 1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol
CID 134968789
2-Fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 70075127
4,4-Difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 163363990
1-[1,1-Difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclopentan-1-ol
CID 11209296
1-Cyclohexyl-2,2-difluoro-4-tri(propan-2-yl)silylbut-3-yn-1-ol
CID 15495756
1-[2-Tri(propan-2-yl)silylethynyl]cyclohexan-1-ol
CID 91092445
1-[3-(Trimethylsilyl)prop-2-yn-1-yl]cyclohexan-1-ol
CID 12653263
1-[1-(Trimethylsilyl)hex-2-yn-1-yl]cyclohexan-1-ol
CID 71412445

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol?
The IUPAC name of 1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol (CID 15495761) is 1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol is CC(C)[Si](C#CC(F)(F)C1(O)CCCCC1)(C(C)C)C(C)C.
What is the InChIKey of 1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol?
The InChIKey is OFWKIAVTJYIJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F2OSi/c1-14(2)22(15(3)4,16(5)6)13-12-18(19,20)17(21)10-8-7-9-11-17/h14-16,21H,7-11H2,1-6H3.
What are the key properties of 1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol?
1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol has a molecular weight of 330.54 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol is sourced from PubChem (CID 15495761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).