(E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol

C17H34OSi — CID 101097233

IUPAC(E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol
SMILESC/C(=C\[Si](C)(C)C(C)(C)C)CC(O)C1CCCCC1
InChIInChI=1S/C17H34OSi/c1-14(13-19(5,6)17(2,3)4)12-16(18)15-10-8-7-9-11-15/h13,15-16,18H,7-12H2,1-6H3/b14-13+
InChIKeySWCSBKMJJFVGMQ-BUHFOSPRSA-N
MW282.54 g/mol
LogP5.31
Rot. Bonds4

About (E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol

(E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol (PubChem CID 101097233) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is (E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol
PubChem CID101097233
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Name(E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol
SMILESC/C(=C\[Si](C)(C)C(C)(C)C)CC(O)C1CCCCC1
InChIInChI=1S/C17H34OSi/c1-14(13-19(5,6)17(2,3)4)12-16(18)15-10-8-7-9-11-15/h13,15-16,18H,7-12H2,1-6H3/b14-13+
InChIKeySWCSBKMJJFVGMQ-BUHFOSPRSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol with MolForge

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Related Compounds

o-Mentha-1(7),8-dien-3-ol
CID 564552
1-(2-Methyl-I-tri(n-butyl)silylmethyl-2-propenyl)cyclohexanol
CID 15049562
Cyclohexanemethanol, alpha-(2-methylallyl)-
CID 565338
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol
CID 11291668
(E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol
CID 12022452
1-Cyclohexyl-2-tri(propan-2-yl)silylbuta-2,3-dien-1-ol
CID 101261971
trans-(1S,2R)-2-prop-1-en-2-ylcyclohexan-1-ol
CID 11137247
1-Cyclohexyl-2-trimethylsilylbuta-2,3-dien-1-ol
CID 11138784
cis-(1S,2S)-2-prop-1-en-2-ylcyclohexan-1-ol
CID 12511049
2-(Prop-1-en-2-yl)cyclohexan-1-ol
CID 12511050
(E)-1-cyclohexyl-3-triethylsilylprop-2-en-1-ol
CID 10060901
(Z)-1-cyclohexyl-3-tributylstannyl-3-trimethylsilylprop-2-en-1-ol
CID 10458683

Frequently Asked Questions

What is the IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol?
The IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol (CID 101097233) is (E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol.
What is the SMILES notation for (E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol?
The canonical SMILES for (E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol is C/C(=C\[Si](C)(C)C(C)(C)C)CC(O)C1CCCCC1.
What is the InChIKey of (E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol?
The InChIKey is SWCSBKMJJFVGMQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H34OSi/c1-14(13-19(5,6)17(2,3)4)12-16(18)15-10-8-7-9-11-15/h13,15-16,18H,7-12H2,1-6H3/b14-13+.
What are the key properties of (E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol?
(E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol has a molecular weight of 282.54 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol is sourced from PubChem (CID 101097233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).