(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol

C13H28O2Si — CID 11715728

IUPAC(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
SMILESC=CC[C@H](O)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-8-9-12(14)10-11(2)15-16(6,7)13(3,4)5/h8,11-12,14H,1,9-10H2,2-7H3/t11-,12+/m1/s1
InChIKeyTYHSLSADYHIOKB-NEPJUHHUSA-N
MW244.45 g/mol
LogP3.72
Rot. Bonds6

About (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol (PubChem CID 11715728) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol.

Molecular Properties

Compound Name(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
PubChem CID11715728
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
SMILESC=CC[C@H](O)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-8-9-12(14)10-11(2)15-16(6,7)13(3,4)5/h8,11-12,14H,1,9-10H2,2-7H3/t11-,12+/m1/s1
InChIKeyTYHSLSADYHIOKB-NEPJUHHUSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.72
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'}

Analyze (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-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 (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol?
The IUPAC name of (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol (CID 11715728) is (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol.
What is the SMILES notation for (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol?
The canonical SMILES for (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol is C=CC[C@H](O)C[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol?
The InChIKey is TYHSLSADYHIOKB-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-8-9-12(14)10-11(2)15-16(6,7)13(3,4)5/h8,11-12,14H,1,9-10H2,2-7H3/t11-,12+/m1/s1.
What are the key properties of (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol?
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol has a molecular weight of 244.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol is sourced from PubChem (CID 11715728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).