3,3-difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol

C17H30F2OSi — CID 15495754

IUPAC3,3-difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
SMILESCC(C)=CC(O)C(F)(F)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H30F2OSi/c1-12(2)11-16(20)17(18,19)9-10-21(13(3)4,14(5)6)15(7)8/h11,13-16,20H,1-8H3
InChIKeyKLZHSOWMNCWCQS-UHFFFAOYSA-N
MW316.51 g/mol
LogP5.17
Rot. Bonds5

About 3,3-difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol

3,3-difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol (PubChem CID 15495754) has the molecular formula C17H30F2OSi and a molecular weight of 316.51 g/mol. Its IUPAC name is 3,3-difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol.

Molecular Properties

Compound Name3,3-difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
PubChem CID15495754
Molecular FormulaC17H30F2OSi
Molecular Weight316.51 g/mol
Exact Mass316.20
IUPAC Name3,3-difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
SMILESCC(C)=CC(O)C(F)(F)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H30F2OSi/c1-12(2)11-16(20)17(18,19)9-10-21(13(3)4,14(5)6)15(7)8/h11,13-16,20H,1-8H3
InChIKeyKLZHSOWMNCWCQS-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.51
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol?
The IUPAC name of 3,3-difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol (CID 15495754) is 3,3-difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol.
What is the SMILES notation for 3,3-difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol?
The canonical SMILES for 3,3-difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol is CC(C)=CC(O)C(F)(F)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3,3-difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol?
The InChIKey is KLZHSOWMNCWCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F2OSi/c1-12(2)11-16(20)17(18,19)9-10-21(13(3)4,14(5)6)15(7)8/h11,13-16,20H,1-8H3.
What are the key properties of 3,3-difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol?
3,3-difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol has a molecular weight of 316.51 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol is sourced from PubChem (CID 15495754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).