(E,3R,4S)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol

C11H20O2Si — CID 101156019

IUPAC(E,3R,4S)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol
SMILESC/C=C/[C@H](O)[C@@H](C#C[Si](C)(C)C)OC
InChIInChI=1S/C11H20O2Si/c1-6-7-10(12)11(13-2)8-9-14(3,4)5/h6-7,10-12H,1-5H3/b7-6+/t10-,11+/m0/s1
InChIKeyCDGXMHIEEUAIJG-FQLSZKSXSA-N
MW212.37 g/mol
LogP1.82
Rot. Bonds3

About (E,3R,4S)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol

(E,3R,4S)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol (PubChem CID 101156019) has the molecular formula C11H20O2Si and a molecular weight of 212.37 g/mol. Its IUPAC name is (E,3R,4S)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol.

Molecular Properties

Compound Name(E,3R,4S)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol
PubChem CID101156019
Molecular FormulaC11H20O2Si
Molecular Weight212.37 g/mol
Exact Mass212.12
IUPAC Name(E,3R,4S)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol
SMILESC/C=C/[C@H](O)[C@@H](C#C[Si](C)(C)C)OC
InChIInChI=1S/C11H20O2Si/c1-6-7-10(12)11(13-2)8-9-14(3,4)5/h6-7,10-12H,1-5H3/b7-6+/t10-,11+/m0/s1
InChIKeyCDGXMHIEEUAIJG-FQLSZKSXSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2S,8E,10S,11S)-trideca-8,12-dien-4,6-diyne-2,10,11-triol
CID 162872564
(2S,10S,11S)-trideca-8,12-dien-4,6-diyne-2,10,11-triol
CID 162872565
(E)-7-trimethylsilylhept-4-en-6-yn-3-ol
CID 130131520
(E,3R,4S)-3-(methoxymethoxy)-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 11276561
(E)-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 13357612
(2E,4S,5S,6E)-1,8-bis(trimethylsilyl)octa-2,6-diene-4,5-diol
CID 25107473
(E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol
CID 124705723
(4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol
CID 134972072
(1S,2E,7S,12S)-6,7,12-tris[tri(propan-2-yl)silyloxy]cyclododec-2-en-4,8,10-triyn-1-ol
CID 134977614
(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

Frequently Asked Questions

What is the IUPAC name of (E,3R,4S)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol?
The IUPAC name of (E,3R,4S)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol (CID 101156019) is (E,3R,4S)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol.
What is the SMILES notation for (E,3R,4S)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol?
The canonical SMILES for (E,3R,4S)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol is C/C=C/[C@H](O)[C@@H](C#C[Si](C)(C)C)OC.
What is the InChIKey of (E,3R,4S)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol?
The InChIKey is CDGXMHIEEUAIJG-FQLSZKSXSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-6-7-10(12)11(13-2)8-9-14(3,4)5/h6-7,10-12H,1-5H3/b7-6+/t10-,11+/m0/s1.
What are the key properties of (E,3R,4S)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol?
(E,3R,4S)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol has a molecular weight of 212.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,4S)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol is sourced from PubChem (CID 101156019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).