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

C16H32O2Si — CID 134973101

IUPAC(E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CCCC[C@H]1/C=C/CO
InChIInChI=1S/C16H32O2Si/c1-16(2,3)19(4,5)18-13-15-10-7-6-9-14(15)11-8-12-17/h8,11,14-15,17H,6-7,9-10,12-13H2,1-5H3/b11-8+/t14-,15+/m0/s1
InChIKeyMDSFGXCYFKVPQY-QBKVNLCDSA-N
MW284.52 g/mol
LogP4.36
Rot. Bonds5

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

(E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol (PubChem CID 134973101) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol
PubChem CID134973101
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CCCC[C@H]1/C=C/CO
InChIInChI=1S/C16H32O2Si/c1-16(2,3)19(4,5)18-13-15-10-7-6-9-14(15)11-8-12-17/h8,11,14-15,17H,6-7,9-10,12-13H2,1-5H3/b11-8+/t14-,15+/m0/s1
InChIKeyMDSFGXCYFKVPQY-QBKVNLCDSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.36
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,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol with MolForge

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Related Compounds

(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol
CID 10595092
3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol
CID 11122130
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
(2E,4E)-5-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol
CID 49793326
[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane
CID 102515912
(2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol
CID 134833662
[(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane
CID 134855624
tert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane
CID 134855716
(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-2-en-1-ol
CID 134995128
(4S,7R)-4-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 134999408
(4S,7S)-4-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 135000864
(E)-3-[(1R,2R)-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol
CID 135010388

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol (CID 134973101) is (E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol is CC(C)(C)[Si](C)(C)OC[C@H]1CCCC[C@H]1/C=C/CO.
What is the InChIKey of (E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol?
The InChIKey is MDSFGXCYFKVPQY-QBKVNLCDSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-16(2,3)19(4,5)18-13-15-10-7-6-9-14(15)11-8-12-17/h8,11,14-15,17H,6-7,9-10,12-13H2,1-5H3/b11-8+/t14-,15+/m0/s1.
What are the key properties of (E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol?
(E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol has a molecular weight of 284.52 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol is sourced from PubChem (CID 134973101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).