7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-1-ol

C14H30O2Si — CID 78136613

IUPAC7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-1-ol
SMILESCC(=CCO)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-13(10-11-15)9-7-8-12-16-17(5,6)14(2,3)4/h10,15H,7-9,11-12H2,1-6H3
InChIKeyPTFPGVGHSPCCSJ-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.12
Rot. Bonds7

About 7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-1-ol

7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-1-ol (PubChem CID 78136613) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-1-ol.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-1-ol
PubChem CID78136613
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-1-ol
SMILESCC(=CCO)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-13(10-11-15)9-7-8-12-16-17(5,6)14(2,3)4/h10,15H,7-9,11-12H2,1-6H3
InChIKeyPTFPGVGHSPCCSJ-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-1-ol?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-1-ol (CID 78136613) is 7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-1-ol.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-1-ol?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-1-ol is CC(=CCO)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-1-ol?
The InChIKey is PTFPGVGHSPCCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-13(10-11-15)9-7-8-12-16-17(5,6)14(2,3)4/h10,15H,7-9,11-12H2,1-6H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-1-ol?
7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-1-ol has a molecular weight of 258.48 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-1-ol is sourced from PubChem (CID 78136613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).