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

C12H26OSi — CID 134975801

IUPAC(E,1S)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-ol
SMILESCC(C)/C=C/[C@@H](O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26OSi/c1-10(2)8-9-11(13)14(6,7)12(3,4)5/h8-11,13H,1-7H3/b9-8+/t11-/m0/s1
InChIKeyYNZFVAUPLNMERR-FBOQAHMBSA-N
MW214.42 g/mol
LogP3.61
Rot. Bonds3

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

(E,1S)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-ol (PubChem CID 134975801) has the molecular formula C12H26OSi and a molecular weight of 214.42 g/mol. Its IUPAC name is (E,1S)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-ol.

Molecular Properties

Compound Name(E,1S)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-ol
PubChem CID134975801
Molecular FormulaC12H26OSi
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name(E,1S)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-ol
SMILESCC(C)/C=C/[C@@H](O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26OSi/c1-10(2)8-9-11(13)14(6,7)12(3,4)5/h8-11,13H,1-7H3/b9-8+/t11-/m0/s1
InChIKeyYNZFVAUPLNMERR-FBOQAHMBSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 53.61
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-methylpent-2-en-1-ol?
The IUPAC name of (E,1S)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-ol (CID 134975801) is (E,1S)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-ol.
What is the SMILES notation for (E,1S)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-ol?
The canonical SMILES for (E,1S)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-ol is CC(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-methylpent-2-en-1-ol?
The InChIKey is YNZFVAUPLNMERR-FBOQAHMBSA-N. The full InChI is InChI=1S/C12H26OSi/c1-10(2)8-9-11(13)14(6,7)12(3,4)5/h8-11,13H,1-7H3/b9-8+/t11-/m0/s1.
What are the key properties of (E,1S)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-ol?
(E,1S)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-ol has a molecular weight of 214.42 g/mol, XLogP of 3.61, 3 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-methylpent-2-en-1-ol is sourced from PubChem (CID 134975801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).