(1S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol

C14H30O2Si — CID 87615149

IUPAC(1S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol
SMILESCCCC(C)C=C[C@@H](O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-9-12(2)10-11-13(15)16-17(6,7)14(3,4)5/h10-13,15H,8-9H2,1-7H3/t12?,13-/m0/s1
InChIKeyFUFSVSIELOFALU-ABLWVSNPSA-N
MW258.48 g/mol
LogP4.32
Rot. Bonds6

About (1S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol

(1S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol (PubChem CID 87615149) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (1S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol
PubChem CID87615149
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(1S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol
SMILESCCCC(C)C=C[C@@H](O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-9-12(2)10-11-13(15)16-17(6,7)14(3,4)5/h10-13,15H,8-9H2,1-7H3/t12?,13-/m0/s1
InChIKeyFUFSVSIELOFALU-ABLWVSNPSA-N
XLogP4.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze (1S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-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 (1S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol?
The IUPAC name of (1S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol (CID 87615149) is (1S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol.
What is the SMILES notation for (1S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol?
The canonical SMILES for (1S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol is CCCC(C)C=C[C@@H](O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol?
The InChIKey is FUFSVSIELOFALU-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-8-9-12(2)10-11-13(15)16-17(6,7)14(3,4)5/h10-13,15H,8-9H2,1-7H3/t12?,13-/m0/s1.
What are the key properties of (1S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol?
(1S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol has a molecular weight of 258.48 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol is sourced from PubChem (CID 87615149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).