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

C16H28F2OSi — CID 15495757

IUPAC(E)-3,3-difluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
SMILESC/C=C/C(O)C(F)(F)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H28F2OSi/c1-8-9-15(19)16(17,18)10-11-20(12(2)3,13(4)5)14(6)7/h8-9,12-15,19H,1-7H3/b9-8+
InChIKeyYNWSYUMJKJLWAC-CMDGGOBGSA-N
MW302.48 g/mol
LogP4.78
Rot. Bonds5

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

(E)-3,3-difluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol (PubChem CID 15495757) has the molecular formula C16H28F2OSi and a molecular weight of 302.48 g/mol. Its IUPAC name is (E)-3,3-difluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol.

Molecular Properties

Compound Name(E)-3,3-difluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
PubChem CID15495757
Molecular FormulaC16H28F2OSi
Molecular Weight302.48 g/mol
Exact Mass302.19
IUPAC Name(E)-3,3-difluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
SMILESC/C=C/C(O)C(F)(F)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H28F2OSi/c1-8-9-15(19)16(17,18)10-11-20(12(2)3,13(4)5)14(6)7/h8-9,12-15,19H,1-7H3/b9-8+
InChIKeyYNWSYUMJKJLWAC-CMDGGOBGSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 54.78
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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Related Compounds

(E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
CID 10517217
(5E,7E)-3,3-difluoro-1-tri(propan-2-yl)silyldodeca-5,7-dien-1-yn-4-ol
CID 10690558
3,3-Difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
CID 15495754
(E)-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 13357612
(E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol
CID 124705723
(E)-7-trimethylsilylhept-4-en-6-yn-3-ol
CID 130131520
(3E,7Z)-1-trimethylsilyldeca-3,7-dien-1-yn-5-ol
CID 138981693
(3E,7Z,10Z)-1-trimethylsilyltrideca-3,7,10-trien-1-yn-5-ol
CID 138981859
(3E,5S,7Z)-1-trimethylsilyldeca-3,7-dien-1-yn-5-ol
CID 146161409
(E,4R)-7,7-dimethyl-9-triethylsilyl-1-trimethylsilylnon-5-en-1,8-diyn-4-ol
CID 155929750
(E)-1,1,1-trifluoro-3-(2-trimethylsilylethynyl)hept-2-en-4-ol
CID 10683051
(E)-8-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooct-2-en-6-yn-4-ol
CID 16087506

Frequently Asked Questions

What is the IUPAC name of (E)-3,3-difluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol?
The IUPAC name of (E)-3,3-difluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol (CID 15495757) is (E)-3,3-difluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol.
What is the SMILES notation for (E)-3,3-difluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol?
The canonical SMILES for (E)-3,3-difluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol is C/C=C/C(O)C(F)(F)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E)-3,3-difluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol?
The InChIKey is YNWSYUMJKJLWAC-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H28F2OSi/c1-8-9-15(19)16(17,18)10-11-20(12(2)3,13(4)5)14(6)7/h8-9,12-15,19H,1-7H3/b9-8+.
What are the key properties of (E)-3,3-difluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol?
(E)-3,3-difluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol has a molecular weight of 302.48 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3-difluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol is sourced from PubChem (CID 15495757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).