(4R)-3,3,6-trimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol

C13H24OSi — CID 134955513

IUPAC(4R)-3,3,6-trimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol
SMILESCC(C)=C[C@@H](O)C(C)(C)C#C[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-11(2)10-12(14)13(3,4)8-9-15(5,6)7/h10,12,14H,1-7H3/t12-/m1/s1
InChIKeyXLEMBWKIZVIHPB-GFCCVEGCSA-N
MW224.42 g/mol
LogP3.22
Rot. Bonds2

About (4R)-3,3,6-trimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol

(4R)-3,3,6-trimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol (PubChem CID 134955513) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is (4R)-3,3,6-trimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol.

Molecular Properties

Compound Name(4R)-3,3,6-trimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol
PubChem CID134955513
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name(4R)-3,3,6-trimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol
SMILESCC(C)=C[C@@H](O)C(C)(C)C#C[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-11(2)10-12(14)13(3,4)8-9-15(5,6)7/h10,12,14H,1-7H3/t12-/m1/s1
InChIKeyXLEMBWKIZVIHPB-GFCCVEGCSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.22
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

(R)-2-((Trimethylsilyl)ethynyl)cyclopent-2-en-1-ol
CID 10932039
(E)-2-methyl-7-trimethylsilylhept-2-en-6-yn-1-ol
CID 134981587
3,3-Difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
CID 15495754
(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol
CID 11674197
(1E,4E)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-ol
CID 12935881
(E)-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 13357612
(5R,6R)-2,6-dimethyl-6-trimethylsilylnona-2,3-dien-7-yn-5-ol
CID 15721119
(E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol
CID 124705723
(E)-7-trimethylsilylhept-4-en-6-yn-3-ol
CID 130131520
(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-ol
CID 134864564
(1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-ol
CID 134979272
(E)-2-methyl-7-tri(propan-2-yl)silylhept-2-en-6-yn-1-ol
CID 134981487

Frequently Asked Questions

What is the IUPAC name of (4R)-3,3,6-trimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol?
The IUPAC name of (4R)-3,3,6-trimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol (CID 134955513) is (4R)-3,3,6-trimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol.
What is the SMILES notation for (4R)-3,3,6-trimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol?
The canonical SMILES for (4R)-3,3,6-trimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol is CC(C)=C[C@@H](O)C(C)(C)C#C[Si](C)(C)C.
What is the InChIKey of (4R)-3,3,6-trimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol?
The InChIKey is XLEMBWKIZVIHPB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24OSi/c1-11(2)10-12(14)13(3,4)8-9-15(5,6)7/h10,12,14H,1-7H3/t12-/m1/s1.
What are the key properties of (4R)-3,3,6-trimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol?
(4R)-3,3,6-trimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol has a molecular weight of 224.42 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3,6-trimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol is sourced from PubChem (CID 134955513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).