(3S,4R)-8-(oxan-2-yloxy)-3-(2-trimethylsilylethoxymethoxy)oct-1-en-6-yn-4-ol

C19H34O5Si — CID 11245681

IUPAC(3S,4R)-8-(oxan-2-yloxy)-3-(2-trimethylsilylethoxymethoxy)oct-1-en-6-yn-4-ol
SMILESC=C[C@H](OCOCC[Si](C)(C)C)[C@H](O)CC#CCOC1CCCCO1
InChIInChI=1S/C19H34O5Si/c1-5-18(24-16-21-14-15-25(2,3)4)17(20)10-6-8-12-22-19-11-7-9-13-23-19/h5,17-20H,1,7,9-16H2,2-4H3/t17-,18+,19?/m1/s1
InChIKeyICBZGHKCYKMPQH-YTYFACEESA-N
MW370.56 g/mol
LogP3.17
Rot. Bonds11

About (3S,4R)-8-(oxan-2-yloxy)-3-(2-trimethylsilylethoxymethoxy)oct-1-en-6-yn-4-ol

(3S,4R)-8-(oxan-2-yloxy)-3-(2-trimethylsilylethoxymethoxy)oct-1-en-6-yn-4-ol (PubChem CID 11245681) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is (3S,4R)-8-(oxan-2-yloxy)-3-(2-trimethylsilylethoxymethoxy)oct-1-en-6-yn-4-ol.

Molecular Properties

Compound Name(3S,4R)-8-(oxan-2-yloxy)-3-(2-trimethylsilylethoxymethoxy)oct-1-en-6-yn-4-ol
PubChem CID11245681
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Name(3S,4R)-8-(oxan-2-yloxy)-3-(2-trimethylsilylethoxymethoxy)oct-1-en-6-yn-4-ol
SMILESC=C[C@H](OCOCC[Si](C)(C)C)[C@H](O)CC#CCOC1CCCCO1
InChIInChI=1S/C19H34O5Si/c1-5-18(24-16-21-14-15-25(2,3)4)17(20)10-6-8-12-22-19-11-7-9-13-23-19/h5,17-20H,1,7,9-16H2,2-4H3/t17-,18+,19?/m1/s1
InChIKeyICBZGHKCYKMPQH-YTYFACEESA-N
XLogP3.17
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

Analyze (3S,4R)-8-(oxan-2-yloxy)-3-(2-trimethylsilylethoxymethoxy)oct-1-en-6-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

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-8-(oxan-2-yloxy)-3-(2-trimethylsilylethoxymethoxy)oct-1-en-6-yn-4-ol?
The IUPAC name of (3S,4R)-8-(oxan-2-yloxy)-3-(2-trimethylsilylethoxymethoxy)oct-1-en-6-yn-4-ol (CID 11245681) is (3S,4R)-8-(oxan-2-yloxy)-3-(2-trimethylsilylethoxymethoxy)oct-1-en-6-yn-4-ol.
What is the SMILES notation for (3S,4R)-8-(oxan-2-yloxy)-3-(2-trimethylsilylethoxymethoxy)oct-1-en-6-yn-4-ol?
The canonical SMILES for (3S,4R)-8-(oxan-2-yloxy)-3-(2-trimethylsilylethoxymethoxy)oct-1-en-6-yn-4-ol is C=C[C@H](OCOCC[Si](C)(C)C)[C@H](O)CC#CCOC1CCCCO1.
What is the InChIKey of (3S,4R)-8-(oxan-2-yloxy)-3-(2-trimethylsilylethoxymethoxy)oct-1-en-6-yn-4-ol?
The InChIKey is ICBZGHKCYKMPQH-YTYFACEESA-N. The full InChI is InChI=1S/C19H34O5Si/c1-5-18(24-16-21-14-15-25(2,3)4)17(20)10-6-8-12-22-19-11-7-9-13-23-19/h5,17-20H,1,7,9-16H2,2-4H3/t17-,18+,19?/m1/s1.
What are the key properties of (3S,4R)-8-(oxan-2-yloxy)-3-(2-trimethylsilylethoxymethoxy)oct-1-en-6-yn-4-ol?
(3S,4R)-8-(oxan-2-yloxy)-3-(2-trimethylsilylethoxymethoxy)oct-1-en-6-yn-4-ol has a molecular weight of 370.56 g/mol, XLogP of 3.17, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-8-(oxan-2-yloxy)-3-(2-trimethylsilylethoxymethoxy)oct-1-en-6-yn-4-ol is sourced from PubChem (CID 11245681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).