(3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol

C13H30O3Si — CID 15605935

IUPAC(3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@@H](O)CCO
InChIInChI=1S/C13H30O3Si/c1-13(2,3)17(4,5)16-11-7-6-8-12(15)9-10-14/h12,14-15H,6-11H2,1-5H3/t12-/m1/s1
InChIKeySGLUIJXFDZYDGS-GFCCVEGCSA-N
MW262.47 g/mol
LogP2.92
Rot. Bonds8

About (3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol

(3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol (PubChem CID 15605935) has the molecular formula C13H30O3Si and a molecular weight of 262.47 g/mol. Its IUPAC name is (3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol.

Molecular Properties

Compound Name(3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol
PubChem CID15605935
Molecular FormulaC13H30O3Si
Molecular Weight262.47 g/mol
Exact Mass262.20
IUPAC Name(3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@@H](O)CCO
InChIInChI=1S/C13H30O3Si/c1-13(2,3)17(4,5)16-11-7-6-8-12(15)9-10-14/h12,14-15H,6-11H2,1-5H3/t12-/m1/s1
InChIKeySGLUIJXFDZYDGS-GFCCVEGCSA-N
XLogP2.92
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol 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)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
(3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol
CID 125490283
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol
CID 86668329
1-amino-5-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 101445135
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol
CID 71427896
10-[tert-butyl(dimethyl)silyl]oxy-1,1-dideuteriodecan-1-ol
CID 102212924
(4S,13Z,16Z)-1-[tert-butyl(dimethyl)silyl]oxydocosa-13,16-dien-4-ol
CID 125481290

Frequently Asked Questions

What is the IUPAC name of (3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol?
The IUPAC name of (3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol (CID 15605935) is (3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol.
What is the SMILES notation for (3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol?
The canonical SMILES for (3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol is CC(C)(C)[Si](C)(C)OCCCC[C@@H](O)CCO.
What is the InChIKey of (3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol?
The InChIKey is SGLUIJXFDZYDGS-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H30O3Si/c1-13(2,3)17(4,5)16-11-7-6-8-12(15)9-10-14/h12,14-15H,6-11H2,1-5H3/t12-/m1/s1.
What are the key properties of (3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol?
(3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol has a molecular weight of 262.47 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol is sourced from PubChem (CID 15605935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).