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

C16H29FOSi — CID 10517217

IUPAC(E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
SMILESC/C=C/C(O)C(F)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H29FOSi/c1-8-9-16(18)15(17)10-11-19(12(2)3,13(4)5)14(6)7/h8-9,12-16,18H,1-7H3/b9-8+
InChIKeyNVDNCVFQMWVCEP-CMDGGOBGSA-N
MW284.49 g/mol
LogP4.48
Rot. Bonds5

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

(E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol (PubChem CID 10517217) has the molecular formula C16H29FOSi and a molecular weight of 284.49 g/mol. Its IUPAC name is (E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol.

Molecular Properties

Compound Name(E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
PubChem CID10517217
Molecular FormulaC16H29FOSi
Molecular Weight284.49 g/mol
Exact Mass284.20
IUPAC Name(E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
SMILESC/C=C/C(O)C(F)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H29FOSi/c1-8-9-16(18)15(17)10-11-19(12(2)3,13(4)5)14(6)7/h8-9,12-16,18H,1-7H3/b9-8+
InChIKeyNVDNCVFQMWVCEP-CMDGGOBGSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 54.48
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'}

Analyze (E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-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

(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
(Z)-8-trimethylsilyloct-5-en-7-yn-4-ol
CID 10797972
(E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol
CID 11355705
(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol
CID 11674197
(1E,5E)-1-trimethylsilylhepta-1,5-dien-4-ol
CID 12715341
(5E)-3-trimethylsilylhepta-1,5-dien-4-ol
CID 13039868
(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
(E)-8-trimethylsilyloct-2-en-7-yn-1-ol
CID 134896986
(4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol
CID 134972072

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol?
The IUPAC name of (E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol (CID 10517217) is (E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol.
What is the SMILES notation for (E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol?
The canonical SMILES for (E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol is C/C=C/C(O)C(F)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol?
The InChIKey is NVDNCVFQMWVCEP-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H29FOSi/c1-8-9-16(18)15(17)10-11-19(12(2)3,13(4)5)14(6)7/h8-9,12-16,18H,1-7H3/b9-8+.
What are the key properties of (E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol?
(E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol has a molecular weight of 284.49 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol is sourced from PubChem (CID 10517217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).