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

C15H30OSi — CID 134906621

IUPAC(E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclohexylprop-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)[C@H](O)/C=C/C1CCCCC1
InChIInChI=1S/C15H30OSi/c1-15(2,3)17(4,5)14(16)12-11-13-9-7-6-8-10-13/h11-14,16H,6-10H2,1-5H3/b12-11+/t14-/m0/s1
InChIKeyWQGPSFYFCMDLCQ-GETOMWPZSA-N
MW254.49 g/mol
LogP4.53
Rot. Bonds3

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

(E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclohexylprop-2-en-1-ol (PubChem CID 134906621) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is (E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclohexylprop-2-en-1-ol.

Molecular Properties

Compound Name(E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclohexylprop-2-en-1-ol
PubChem CID134906621
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Name(E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclohexylprop-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)[C@H](O)/C=C/C1CCCCC1
InChIInChI=1S/C15H30OSi/c1-15(2,3)17(4,5)14(16)12-11-13-9-7-6-8-10-13/h11-14,16H,6-10H2,1-5H3/b12-11+/t14-/m0/s1
InChIKeyWQGPSFYFCMDLCQ-GETOMWPZSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 54.53
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

(E)-3-Cyclohexyl-2-propen-1-ol
CID 10396924
4-Cyclohexylbut-2-en-1-ol
CID 11062610
(E)-4-cyclohexylbut-3-en-2-ol
CID 11084101
5-Ethyl-2-nonen-1-ol
CID 3022582
4-Cyclohexylbut-3-en-2-ol
CID 54535995
(E)-9-deuterio-7-(deuteriomethyl)non-2-en-1-ol
CID 134903027
(E)-3-[(1S,2R)-2-ethenylcyclohexyl]-2-(trimethylsilylmethyl)prop-2-en-1-ol
CID 135010390
5-Ethylnon-2-en-1-ol
CID 6366259
(E)-1-cyclohexyl-4-trimethylsilylpent-2-en-1-ol
CID 10752575
(2Z)-2-[(3R)-3-methylcyclohexylidene]ethanol
CID 12956877
(2E)-2-[(2S)-2-methylcyclohexylidene]ethanol
CID 12956894
(E)-1-[tert-butyl(dimethyl)silyl]-3-cyclohexylprop-2-en-1-ol
CID 101051958

Frequently Asked Questions

What is the IUPAC name of (E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclohexylprop-2-en-1-ol?
The IUPAC name of (E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclohexylprop-2-en-1-ol (CID 134906621) is (E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclohexylprop-2-en-1-ol.
What is the SMILES notation for (E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclohexylprop-2-en-1-ol?
The canonical SMILES for (E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclohexylprop-2-en-1-ol is CC(C)(C)[Si](C)(C)[C@H](O)/C=C/C1CCCCC1.
What is the InChIKey of (E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclohexylprop-2-en-1-ol?
The InChIKey is WQGPSFYFCMDLCQ-GETOMWPZSA-N. The full InChI is InChI=1S/C15H30OSi/c1-15(2,3)17(4,5)14(16)12-11-13-9-7-6-8-10-13/h11-14,16H,6-10H2,1-5H3/b12-11+/t14-/m0/s1.
What are the key properties of (E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclohexylprop-2-en-1-ol?
(E,1S)-1-[tert-butyl(dimethyl)silyl]-3-cyclohexylprop-2-en-1-ol has a molecular weight of 254.49 g/mol, XLogP of 4.53, 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-cyclohexylprop-2-en-1-ol is sourced from PubChem (CID 134906621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).