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

C17H30F2OSi — CID 11209296

IUPAC1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclopentan-1-ol
SMILESCC(C)[Si](C#CC(F)(F)C1(O)CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C17H30F2OSi/c1-13(2)21(14(3)4,15(5)6)12-11-17(18,19)16(20)9-7-8-10-16/h13-15,20H,7-10H2,1-6H3
InChIKeyFOXZNNMIQIKDMP-UHFFFAOYSA-N
MW316.51 g/mol
LogP5.15
Rot. Bonds4

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

1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclopentan-1-ol (PubChem CID 11209296) has the molecular formula C17H30F2OSi and a molecular weight of 316.51 g/mol. Its IUPAC name is 1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclopentan-1-ol
PubChem CID11209296
Molecular FormulaC17H30F2OSi
Molecular Weight316.51 g/mol
Exact Mass316.20
IUPAC Name1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclopentan-1-ol
SMILESCC(C)[Si](C#CC(F)(F)C1(O)CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C17H30F2OSi/c1-13(2)21(14(3)4,15(5)6)12-11-17(18,19)16(20)9-7-8-10-16/h13-15,20H,7-10H2,1-6H3
InChIKeyFOXZNNMIQIKDMP-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.51
LogP ≤ 55.15
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

(4R)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol
CID 141283508
(4S)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol
CID 141283509
4,4-Difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 163363990
1-[1,1-Difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol
CID 15495761
1-[2-(Trimethylsilyl)ethynyl]cyclopentan-1-ol
CID 15699925
1-(1-Trimethylsilylprop-2-ynyl)cyclopentan-1-ol
CID 140134543
1-[3-(Trimethylsilyl)prop-2-yn-1-yl]cyclopentan-1-ol
CID 10888857
1-[2-Tri(propan-2-yl)silylethynyl]cyclopentan-1-ol
CID 132598402

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclopentan-1-ol?
The IUPAC name of 1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclopentan-1-ol (CID 11209296) is 1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclopentan-1-ol?
The canonical SMILES for 1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclopentan-1-ol is CC(C)[Si](C#CC(F)(F)C1(O)CCCC1)(C(C)C)C(C)C.
What is the InChIKey of 1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclopentan-1-ol?
The InChIKey is FOXZNNMIQIKDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F2OSi/c1-13(2)21(14(3)4,15(5)6)12-11-17(18,19)16(20)9-7-8-10-16/h13-15,20H,7-10H2,1-6H3.
What are the key properties of 1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclopentan-1-ol?
1-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclopentan-1-ol has a molecular weight of 316.51 g/mol, XLogP of 5.15, 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]cyclopentan-1-ol is sourced from PubChem (CID 11209296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).