3-[[tert-butyl(diphenyl)silyl]methyl]cyclohex-3-en-1-ol

C23H30OSi — CID 11588340

IUPAC3-[[tert-butyl(diphenyl)silyl]methyl]cyclohex-3-en-1-ol
SMILESCC(C)(C)[Si](CC1=CCCC(O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30OSi/c1-23(2,3)25(21-13-6-4-7-14-21,22-15-8-5-9-16-22)18-19-11-10-12-20(24)17-19/h4-9,11,13-16,20,24H,10,12,17-18H2,1-3H3
InChIKeyMHIWGNRPTSDJPV-UHFFFAOYSA-N
MW350.58 g/mol
LogP4.52
Rot. Bonds4

About 3-[[tert-butyl(diphenyl)silyl]methyl]cyclohex-3-en-1-ol

3-[[tert-butyl(diphenyl)silyl]methyl]cyclohex-3-en-1-ol (PubChem CID 11588340) has the molecular formula C23H30OSi and a molecular weight of 350.58 g/mol. Its IUPAC name is 3-[[tert-butyl(diphenyl)silyl]methyl]cyclohex-3-en-1-ol.

Molecular Properties

Compound Name3-[[tert-butyl(diphenyl)silyl]methyl]cyclohex-3-en-1-ol
PubChem CID11588340
Molecular FormulaC23H30OSi
Molecular Weight350.58 g/mol
Exact Mass350.21
IUPAC Name3-[[tert-butyl(diphenyl)silyl]methyl]cyclohex-3-en-1-ol
SMILESCC(C)(C)[Si](CC1=CCCC(O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30OSi/c1-23(2,3)25(21-13-6-4-7-14-21,22-15-8-5-9-16-22)18-19-11-10-12-20(24)17-19/h4-9,11,13-16,20,24H,10,12,17-18H2,1-3H3
InChIKeyMHIWGNRPTSDJPV-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 54.52
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

3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(4E)-5-benzylcyclooct-4-en-1-ol
CID 22319857
5-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbonitrile;5-hydroxycyclohexene-1-carbonitrile
CID 160886295
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
methyl 3-(5-hydroxycyclohexen-1-yl)propanoate
CID 68828227
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
[(3S,8aR)-spiro[3,4,6,7,8,8a-hexahydroisochromene-1,1'-cyclohexane]-3-yl]methyl-tert-butyl-diphenylsilane
CID 11167043
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
2-[(1R)-3-[(S)-deuterio-[dimethyl(phenyl)silyl]methyl]cyclohex-3-en-1-yl]acetic acid
CID 25239981
tert-butyl-diphenyl-(4,5,6,7-tetrahydro-1,2-benzoxazol-6-yloxy)silane;methane;4,5,6,7-tetrahydro-1,2-benzoxazol-6-ol
CID 159224445
3-[[tert-butyl(diphenyl)silyl]methyl]but-3-en-1-ol
CID 15122911
CID 173161456
CID 173161456

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(diphenyl)silyl]methyl]cyclohex-3-en-1-ol?
The IUPAC name of 3-[[tert-butyl(diphenyl)silyl]methyl]cyclohex-3-en-1-ol (CID 11588340) is 3-[[tert-butyl(diphenyl)silyl]methyl]cyclohex-3-en-1-ol.
What is the SMILES notation for 3-[[tert-butyl(diphenyl)silyl]methyl]cyclohex-3-en-1-ol?
The canonical SMILES for 3-[[tert-butyl(diphenyl)silyl]methyl]cyclohex-3-en-1-ol is CC(C)(C)[Si](CC1=CCCC(O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[tert-butyl(diphenyl)silyl]methyl]cyclohex-3-en-1-ol?
The InChIKey is MHIWGNRPTSDJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30OSi/c1-23(2,3)25(21-13-6-4-7-14-21,22-15-8-5-9-16-22)18-19-11-10-12-20(24)17-19/h4-9,11,13-16,20,24H,10,12,17-18H2,1-3H3.
What are the key properties of 3-[[tert-butyl(diphenyl)silyl]methyl]cyclohex-3-en-1-ol?
3-[[tert-butyl(diphenyl)silyl]methyl]cyclohex-3-en-1-ol has a molecular weight of 350.58 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(diphenyl)silyl]methyl]cyclohex-3-en-1-ol is sourced from PubChem (CID 11588340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).