[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]-cyclohexylmethanol

C19H36O2Si — CID 154052261

IUPAC[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]-cyclohexylmethanol
SMILESCC(C)(C)[Si](C)(C)OC1CC=C(C(O)C2CCCCC2)CC1
InChIInChI=1S/C19H36O2Si/c1-19(2,3)22(4,5)21-17-13-11-16(12-14-17)18(20)15-9-7-6-8-10-15/h11,15,17-18,20H,6-10,12-14H2,1-5H3
InChIKeyONOKODXEPBQQHK-UHFFFAOYSA-N
MW324.58 g/mol
LogP5.43
Rot. Bonds4

About [4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]-cyclohexylmethanol

[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]-cyclohexylmethanol (PubChem CID 154052261) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]-cyclohexylmethanol.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]-cyclohexylmethanol
PubChem CID154052261
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]-cyclohexylmethanol
SMILESCC(C)(C)[Si](C)(C)OC1CC=C(C(O)C2CCCCC2)CC1
InChIInChI=1S/C19H36O2Si/c1-19(2,3)22(4,5)21-17-13-11-16(12-14-17)18(20)15-9-7-6-8-10-15/h11,15,17-18,20H,6-10,12-14H2,1-5H3
InChIKeyONOKODXEPBQQHK-UHFFFAOYSA-N
XLogP5.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.43
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'}

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Related Compounds

(2S,4aS,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 11426466
(1S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8a-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol
CID 10760343
3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol
CID 11122130
trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 11759563
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
(3R,4RS,7R)-1-(tert-Butyldimethylsilyloxy)-3,7,11-trimethyl-10-dodecen-4-ol
CID 23727931
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
CID 24755010
5-[Tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol
CID 24795825
trans-(1R,2R)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 101029064
(E)-1,4-dicyclohexyl-3-triethylsilylbut-3-en-1-ol
CID 101899066
(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol
CID 122371221
4-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-ol
CID 134835026

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]-cyclohexylmethanol?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]-cyclohexylmethanol (CID 154052261) is [4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]-cyclohexylmethanol.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]-cyclohexylmethanol?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]-cyclohexylmethanol is CC(C)(C)[Si](C)(C)OC1CC=C(C(O)C2CCCCC2)CC1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]-cyclohexylmethanol?
The InChIKey is ONOKODXEPBQQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-19(2,3)22(4,5)21-17-13-11-16(12-14-17)18(20)15-9-7-6-8-10-15/h11,15,17-18,20H,6-10,12-14H2,1-5H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]-cyclohexylmethanol?
[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]-cyclohexylmethanol has a molecular weight of 324.58 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]-cyclohexylmethanol is sourced from PubChem (CID 154052261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).