5-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-hept-1-en-3-yl]benzene-1,3-diol

C19H32O3Si — CID 146161958

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-hept-1-en-3-yl]benzene-1,3-diol
SMILESC=C[C@H](CCCC)c1c(O)cc(O[Si](C)(C)C(C)(C)C)cc1O
InChIInChI=1S/C19H32O3Si/c1-8-10-11-14(9-2)18-16(20)12-15(13-17(18)21)22-23(6,7)19(3,4)5/h9,12-14,20-21H,2,8,10-11H2,1,3-7H3/t14-/m1/s1
InChIKeyVTJSMRZQENLRAI-CQSZACIVSA-N
MW336.55 g/mol
LogP5.94
Rot. Bonds7

About 5-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-hept-1-en-3-yl]benzene-1,3-diol

5-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-hept-1-en-3-yl]benzene-1,3-diol (PubChem CID 146161958) has the molecular formula C19H32O3Si and a molecular weight of 336.55 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-hept-1-en-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-hept-1-en-3-yl]benzene-1,3-diol
PubChem CID146161958
Molecular FormulaC19H32O3Si
Molecular Weight336.55 g/mol
Exact Mass336.21
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-hept-1-en-3-yl]benzene-1,3-diol
SMILESC=C[C@H](CCCC)c1c(O)cc(O[Si](C)(C)C(C)(C)C)cc1O
InChIInChI=1S/C19H32O3Si/c1-8-10-11-14(9-2)18-16(20)12-15(13-17(18)21)22-23(6,7)19(3,4)5/h9,12-14,20-21H,2,8,10-11H2,1,3-7H3/t14-/m1/s1
InChIKeyVTJSMRZQENLRAI-CQSZACIVSA-N
XLogP5.94
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.55
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-hept-1-en-3-yl]benzene-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

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-hept-1-en-3-yl]benzene-1,3-diol?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-hept-1-en-3-yl]benzene-1,3-diol (CID 146161958) is 5-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-hept-1-en-3-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-hept-1-en-3-yl]benzene-1,3-diol?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-hept-1-en-3-yl]benzene-1,3-diol is C=C[C@H](CCCC)c1c(O)cc(O[Si](C)(C)C(C)(C)C)cc1O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-hept-1-en-3-yl]benzene-1,3-diol?
The InChIKey is VTJSMRZQENLRAI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H32O3Si/c1-8-10-11-14(9-2)18-16(20)12-15(13-17(18)21)22-23(6,7)19(3,4)5/h9,12-14,20-21H,2,8,10-11H2,1,3-7H3/t14-/m1/s1.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-hept-1-en-3-yl]benzene-1,3-diol?
5-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-hept-1-en-3-yl]benzene-1,3-diol has a molecular weight of 336.55 g/mol, XLogP of 5.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-hept-1-en-3-yl]benzene-1,3-diol is sourced from PubChem (CID 146161958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).