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

C12H22O3Si — CID 11276561

IUPAC(E,3R,4S)-3-(methoxymethoxy)-1-trimethylsilylhept-5-en-1-yn-4-ol
SMILESC/C=C/[C@H](O)[C@@H](C#C[Si](C)(C)C)OCOC
InChIInChI=1S/C12H22O3Si/c1-6-7-11(13)12(15-10-14-2)8-9-16(3,4)5/h6-7,11-13H,10H2,1-5H3/b7-6+/t11-,12+/m0/s1
InChIKeyHCDIDGBCJVFFNS-FNSAGKMKSA-N
MW242.39 g/mol
LogP1.79
Rot. Bonds5

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

(E,3R,4S)-3-(methoxymethoxy)-1-trimethylsilylhept-5-en-1-yn-4-ol (PubChem CID 11276561) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is (E,3R,4S)-3-(methoxymethoxy)-1-trimethylsilylhept-5-en-1-yn-4-ol.

Molecular Properties

Compound Name(E,3R,4S)-3-(methoxymethoxy)-1-trimethylsilylhept-5-en-1-yn-4-ol
PubChem CID11276561
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name(E,3R,4S)-3-(methoxymethoxy)-1-trimethylsilylhept-5-en-1-yn-4-ol
SMILESC/C=C/[C@H](O)[C@@H](C#C[Si](C)(C)C)OCOC
InChIInChI=1S/C12H22O3Si/c1-6-7-11(13)12(15-10-14-2)8-9-16(3,4)5/h6-7,11-13H,10H2,1-5H3/b7-6+/t11-,12+/m0/s1
InChIKeyHCDIDGBCJVFFNS-FNSAGKMKSA-N
XLogP1.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)hex-4-en-1-ol
CID 134863284
(E,4S,5R)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(methoxymethoxy)oct-6-en-2-yn-4-ol
CID 10670981
(3S,4S,5E)-3-(2-trimethylsilylethoxymethoxy)hepta-1,5-dien-4-ol
CID 10890590
(3S,5Z,7R)-7-(2-trimethylsilylethoxymethoxy)octa-1,5-dien-3-ol
CID 11011145
(2R,3R,6S)-6-(hydroxymethyl)-2-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]-3,6-dihydro-2H-pyran-3-ol
CID 11044053
(E,3R,4R)-3-(methoxymethoxy)-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 11402247
(E,4S,5R)-5-(methoxymethoxy)non-2-en-6-yn-4-ol
CID 16110134
(3R,5Z,7R)-7-(2-trimethylsilylethoxymethoxy)octa-1,5-dien-3-ol
CID 100931158
(E,3R,4S)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 101156019
(E,3S,4R)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 101156020
(E,3R,4R)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 101156021
(E,3S,4S)-3-methoxy-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 101156022

Frequently Asked Questions

What is the IUPAC name of (E,3R,4S)-3-(methoxymethoxy)-1-trimethylsilylhept-5-en-1-yn-4-ol?
The IUPAC name of (E,3R,4S)-3-(methoxymethoxy)-1-trimethylsilylhept-5-en-1-yn-4-ol (CID 11276561) is (E,3R,4S)-3-(methoxymethoxy)-1-trimethylsilylhept-5-en-1-yn-4-ol.
What is the SMILES notation for (E,3R,4S)-3-(methoxymethoxy)-1-trimethylsilylhept-5-en-1-yn-4-ol?
The canonical SMILES for (E,3R,4S)-3-(methoxymethoxy)-1-trimethylsilylhept-5-en-1-yn-4-ol is C/C=C/[C@H](O)[C@@H](C#C[Si](C)(C)C)OCOC.
What is the InChIKey of (E,3R,4S)-3-(methoxymethoxy)-1-trimethylsilylhept-5-en-1-yn-4-ol?
The InChIKey is HCDIDGBCJVFFNS-FNSAGKMKSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-6-7-11(13)12(15-10-14-2)8-9-16(3,4)5/h6-7,11-13H,10H2,1-5H3/b7-6+/t11-,12+/m0/s1.
What are the key properties of (E,3R,4S)-3-(methoxymethoxy)-1-trimethylsilylhept-5-en-1-yn-4-ol?
(E,3R,4S)-3-(methoxymethoxy)-1-trimethylsilylhept-5-en-1-yn-4-ol has a molecular weight of 242.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,4S)-3-(methoxymethoxy)-1-trimethylsilylhept-5-en-1-yn-4-ol is sourced from PubChem (CID 11276561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).