(E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclopropylprop-2-en-1-ol

C12H24OSi — CID 10965846

IUPAC(E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclopropylprop-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)[C@H](O)/C=C/C1CC1
InChIInChI=1S/C12H24OSi/c1-12(2,3)14(4,5)11(13)9-8-10-6-7-10/h8-11,13H,6-7H2,1-5H3/b9-8+/t11-/m0/s1
InChIKeyIFNKROGBMCXDAE-FBOQAHMBSA-N
MW212.41 g/mol
LogP3.36
Rot. Bonds3

About (E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclopropylprop-2-en-1-ol

(E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclopropylprop-2-en-1-ol (PubChem CID 10965846) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is (E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclopropylprop-2-en-1-ol.

Molecular Properties

Compound Name(E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclopropylprop-2-en-1-ol
PubChem CID10965846
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name(E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclopropylprop-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)[C@H](O)/C=C/C1CC1
InChIInChI=1S/C12H24OSi/c1-12(2,3)14(4,5)11(13)9-8-10-6-7-10/h8-11,13H,6-7H2,1-5H3/b9-8+/t11-/m0/s1
InChIKeyIFNKROGBMCXDAE-FBOQAHMBSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.36
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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Related Compounds

(Z)-2-trimethylsilylhept-2-en-1-ol
CID 11745353
(1E,4E)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-ol
CID 12935881
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol
CID 10489670
(E)-3-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropyl]prop-2-en-1-ol
CID 13925594
(2E,5E)-6-trimethylsilylhexa-2,5-dien-1-ol
CID 14290619
(E,1R)-1-[tert-butyl(dimethyl)silyl]hex-2-en-1-ol
CID 24809451
(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-en-1-ol
CID 54597347
1-[Tert-butyl(dimethyl)silyl]-5,5-dimethylhex-2-en-1-ol
CID 85824406
(E,1S)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-en-1-ol
CID 134906463
(2E)-3-trimethylsilylhexa-2,5-dien-1-ol
CID 134963456
(E,1S)-1-[tert-butyl(dimethyl)silyl]-4-methylpent-2-en-1-ol
CID 134975801
(1E,4Z)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-ol
CID 134979272

Frequently Asked Questions

What is the IUPAC name of (E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclopropylprop-2-en-1-ol?
The IUPAC name of (E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclopropylprop-2-en-1-ol (CID 10965846) is (E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclopropylprop-2-en-1-ol.
What is the SMILES notation for (E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclopropylprop-2-en-1-ol?
The canonical SMILES for (E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclopropylprop-2-en-1-ol is CC(C)(C)[Si](C)(C)[C@H](O)/C=C/C1CC1.
What is the InChIKey of (E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclopropylprop-2-en-1-ol?
The InChIKey is IFNKROGBMCXDAE-FBOQAHMBSA-N. The full InChI is InChI=1S/C12H24OSi/c1-12(2,3)14(4,5)11(13)9-8-10-6-7-10/h8-11,13H,6-7H2,1-5H3/b9-8+/t11-/m0/s1.
What are the key properties of (E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclopropylprop-2-en-1-ol?
(E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclopropylprop-2-en-1-ol has a molecular weight of 212.41 g/mol, XLogP of 3.36, 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]-3-cyclopropylprop-2-en-1-ol is sourced from PubChem (CID 10965846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).