(E,3R)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-ol

C11H20OSi — CID 101388632

IUPAC(E,3R)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-ol
SMILESCC/C=C(\C)[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-6-7-10(2)11(12)8-9-13(3,4)5/h7,11-12H,6H2,1-5H3/b10-7+/t11-/m0/s1
InChIKeyBVINPNOIBWOPCE-HUYFXPKMSA-N
MW196.37 g/mol
LogP2.58
Rot. Bonds2

About (E,3R)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-ol

(E,3R)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-ol (PubChem CID 101388632) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is (E,3R)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-ol.

Molecular Properties

Compound Name(E,3R)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-ol
PubChem CID101388632
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name(E,3R)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-ol
SMILESCC/C=C(\C)[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-6-7-10(2)11(12)8-9-13(3,4)5/h7,11-12H,6H2,1-5H3/b10-7+/t11-/m0/s1
InChIKeyBVINPNOIBWOPCE-HUYFXPKMSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.58
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,3R)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-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

(E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
CID 10517217
(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
(Z)-5-methylundec-4-en-6-yn-3-ol
CID 10511599
(Z)-2-ethyl-5-trimethylsilylpent-2-en-4-yn-1-ol
CID 10749960
(Z)-8-trimethylsilyloct-5-en-7-yn-4-ol
CID 10797972
(E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol
CID 11355705
(1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol
CID 11459757
(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

Frequently Asked Questions

What is the IUPAC name of (E,3R)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-ol?
The IUPAC name of (E,3R)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-ol (CID 101388632) is (E,3R)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-ol.
What is the SMILES notation for (E,3R)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-ol?
The canonical SMILES for (E,3R)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-ol is CC/C=C(\C)[C@@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (E,3R)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-ol?
The InChIKey is BVINPNOIBWOPCE-HUYFXPKMSA-N. The full InChI is InChI=1S/C11H20OSi/c1-6-7-10(2)11(12)8-9-13(3,4)5/h7,11-12H,6H2,1-5H3/b10-7+/t11-/m0/s1.
What are the key properties of (E,3R)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-ol?
(E,3R)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-ol has a molecular weight of 196.37 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-4-methyl-1-trimethylsilylhept-4-en-1-yn-3-ol is sourced from PubChem (CID 101388632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).