(1S)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)pentan-1-ol

C17H34O2Si — CID 10518216

IUPAC(1S)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)pentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@H](O)C1=CCCCC1
InChIInChI=1S/C17H34O2Si/c1-17(2,3)20(4,5)19-14-10-9-13-16(18)15-11-7-6-8-12-15/h11,16,18H,6-10,12-14H2,1-5H3/t16-/m0/s1
InChIKeyWZWKEDJZIQYNJD-INIZCTEOSA-N
MW298.54 g/mol
LogP5.04
Rot. Bonds7

About (1S)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)pentan-1-ol

(1S)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)pentan-1-ol (PubChem CID 10518216) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (1S)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)pentan-1-ol.

Molecular Properties

Compound Name(1S)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)pentan-1-ol
PubChem CID10518216
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(1S)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)pentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@H](O)C1=CCCCC1
InChIInChI=1S/C17H34O2Si/c1-17(2,3)20(4,5)19-14-10-9-13-16(18)15-11-7-6-8-12-15/h11,16,18H,6-10,12-14H2,1-5H3/t16-/m0/s1
InChIKeyWZWKEDJZIQYNJD-INIZCTEOSA-N
XLogP5.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol
CID 12935867
2-[(3R,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]ethanol
CID 10221782
2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethanol
CID 11795195
(1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol
CID 10739293
(1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol
CID 11021568
(E)-3-trimethylsilyldodec-2-ene-1,4-diol
CID 13382778
(1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol
CID 15543738
5-[Tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol
CID 24795825
(3E)-1-[tert-butyl(dimethyl)silyl]oxy-3-hexylnona-3,8-dien-2-ol
CID 101365455
1-(Cyclohexen-1-yl)-3-trimethylsilylpropan-1-ol
CID 101386357
(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol
CID 101808796

Frequently Asked Questions

What is the IUPAC name of (1S)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)pentan-1-ol?
The IUPAC name of (1S)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)pentan-1-ol (CID 10518216) is (1S)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)pentan-1-ol.
What is the SMILES notation for (1S)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)pentan-1-ol?
The canonical SMILES for (1S)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)pentan-1-ol is CC(C)(C)[Si](C)(C)OCCCC[C@H](O)C1=CCCCC1.
What is the InChIKey of (1S)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)pentan-1-ol?
The InChIKey is WZWKEDJZIQYNJD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-17(2,3)20(4,5)19-14-10-9-13-16(18)15-11-7-6-8-12-15/h11,16,18H,6-10,12-14H2,1-5H3/t16-/m0/s1.
What are the key properties of (1S)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)pentan-1-ol?
(1S)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)pentan-1-ol has a molecular weight of 298.54 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)pentan-1-ol is sourced from PubChem (CID 10518216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).