(2R,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhept-6-en-3-ol

C14H30O3Si — CID 11694745

IUPAC(2R,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhept-6-en-3-ol
SMILESC=CC[C@@H](OC)[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-9-10-12(16-6)13(15)11(2)17-18(7,8)14(3,4)5/h9,11-13,15H,1,10H2,2-8H3/t11-,12-,13-/m1/s1
InChIKeyOBBWZSPKJGOQGH-JHJVBQTASA-N
MW274.48 g/mol
LogP3.35
Rot. Bonds7

About (2R,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhept-6-en-3-ol

(2R,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhept-6-en-3-ol (PubChem CID 11694745) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is (2R,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhept-6-en-3-ol.

Molecular Properties

Compound Name(2R,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhept-6-en-3-ol
PubChem CID11694745
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name(2R,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhept-6-en-3-ol
SMILESC=CC[C@@H](OC)[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-9-10-12(16-6)13(15)11(2)17-18(7,8)14(3,4)5/h9,11-13,15H,1,10H2,2-8H3/t11-,12-,13-/m1/s1
InChIKeyOBBWZSPKJGOQGH-JHJVBQTASA-N
XLogP3.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhept-6-en-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

(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydrooxepin-3-ol
CID 10825136
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
6-O-(tert-Butyldimethylsilyl)-D-glucal
CID 11021628
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol
CID 53764004
Ctk2E3476
CID 11246239
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methanol
CID 11333702
(2R)-2-triethylsilyloxypent-4-en-1-ol
CID 11378941
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol
CID 11458884
(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol
CID 11470271

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhept-6-en-3-ol?
The IUPAC name of (2R,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhept-6-en-3-ol (CID 11694745) is (2R,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhept-6-en-3-ol.
What is the SMILES notation for (2R,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhept-6-en-3-ol?
The canonical SMILES for (2R,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhept-6-en-3-ol is C=CC[C@@H](OC)[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhept-6-en-3-ol?
The InChIKey is OBBWZSPKJGOQGH-JHJVBQTASA-N. The full InChI is InChI=1S/C14H30O3Si/c1-9-10-12(16-6)13(15)11(2)17-18(7,8)14(3,4)5/h9,11-13,15H,1,10H2,2-8H3/t11-,12-,13-/m1/s1.
What are the key properties of (2R,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhept-6-en-3-ol?
(2R,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhept-6-en-3-ol has a molecular weight of 274.48 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhept-6-en-3-ol is sourced from PubChem (CID 11694745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).