(E,1S)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-ol

C13H28OSi — CID 134906463

IUPAC(E,1S)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-ol
SMILESCC(C)(C)/C=C/[C@@H](O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-12(2,3)10-9-11(14)15(7,8)13(4,5)6/h9-11,14H,1-8H3/b10-9+/t11-/m0/s1
InChIKeyULVATRVNLYLRCH-USKTWTLRSA-N
MW228.45 g/mol
LogP4.00
Rot. Bonds2

About (E,1S)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-ol

(E,1S)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-ol (PubChem CID 134906463) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is (E,1S)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-ol.

Molecular Properties

Compound Name(E,1S)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-ol
PubChem CID134906463
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Name(E,1S)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-ol
SMILESCC(C)(C)/C=C/[C@@H](O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-12(2,3)10-9-11(14)15(7,8)13(4,5)6/h9-11,14H,1-8H3/b10-9+/t11-/m0/s1
InChIKeyULVATRVNLYLRCH-USKTWTLRSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (E,1S)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-ol?
The IUPAC name of (E,1S)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-ol (CID 134906463) is (E,1S)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-ol.
What is the SMILES notation for (E,1S)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-ol?
The canonical SMILES for (E,1S)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-ol is CC(C)(C)/C=C/[C@@H](O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,1S)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-ol?
The InChIKey is ULVATRVNLYLRCH-USKTWTLRSA-N. The full InChI is InChI=1S/C13H28OSi/c1-12(2,3)10-9-11(14)15(7,8)13(4,5)6/h9-11,14H,1-8H3/b10-9+/t11-/m0/s1.
What are the key properties of (E,1S)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-ol?
(E,1S)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-ol has a molecular weight of 228.45 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-ol is sourced from PubChem (CID 134906463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).