(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol

C15H30O2Si — CID 135031901

IUPAC(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol
SMILESCC1(C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1/C=C/CO
InChIInChI=1S/C15H30O2Si/c1-14(2,3)18(6,7)17-11-13-12(9-8-10-16)15(13,4)5/h8-9,12-13,16H,10-11H2,1-7H3/b9-8+/t12-,13+/m0/s1
InChIKeyUINHKWWZMVPWTH-AYSSICMYSA-N
MW270.49 g/mol
LogP3.83
Rot. Bonds5

About (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol

(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol (PubChem CID 135031901) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol
PubChem CID135031901
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol
SMILESCC1(C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1/C=C/CO
InChIInChI=1S/C15H30O2Si/c1-14(2,3)18(6,7)17-11-13-12(9-8-10-16)15(13,4)5/h8-9,12-13,16H,10-11H2,1-7H3/b9-8+/t12-,13+/m0/s1
InChIKeyUINHKWWZMVPWTH-AYSSICMYSA-N
XLogP3.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol with MolForge

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Related Compounds

tert-butyl-dimethyl-[(E)-3-(1-propan-2-ylcyclopropyl)prop-2-enoxy]silane
CID 11425340
(E)-3-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropyl]prop-2-en-1-ol
CID 13925594
(E)-3-[(1S,3R)-3-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol
CID 102108258
(E)-7-(tert-Butyl-dimethyl-silanyloxy)-4,4-dimethyl-hept-2-en-1-ol
CID 131748553
7-(Tert-butyldimethylsilyloxy)-4,4-dimethyl-2-heptenol
CID 131748555
(E,5R)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol
CID 10869444
(E)-3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]prop-2-en-1-ol
CID 11299505
(E)-3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-2-methylprop-2-en-1-ol
CID 11832054
3-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-2-methylprop-2-en-1-ol
CID 57368114
(2E,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enylhepta-2,6-dien-1-ol
CID 102344017

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol (CID 135031901) is (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol is CC1(C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1/C=C/CO.
What is the InChIKey of (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol?
The InChIKey is UINHKWWZMVPWTH-AYSSICMYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-14(2,3)18(6,7)17-11-13-12(9-8-10-16)15(13,4)5/h8-9,12-13,16H,10-11H2,1-7H3/b9-8+/t12-,13+/m0/s1.
What are the key properties of (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol?
(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol has a molecular weight of 270.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol is sourced from PubChem (CID 135031901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).