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

C18H36O2Si — CID 24795825

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCCC(O)C1=CCCCCC1
InChIInChI=1S/C18H36O2Si/c1-18(2,3)21(4,5)20-15-11-10-14-17(19)16-12-8-6-7-9-13-16/h12,17,19H,6-11,13-15H2,1-5H3
InChIKeyVSLDEUWRJYSOJQ-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.43
Rot. Bonds7

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

5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol (PubChem CID 24795825) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol
PubChem CID24795825
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCCC(O)C1=CCCCCC1
InChIInChI=1S/C18H36O2Si/c1-18(2,3)21(4,5)20-15-11-10-14-17(19)16-12-8-6-7-9-13-16/h12,17,19H,6-11,13-15H2,1-5H3
InChIKeyVSLDEUWRJYSOJQ-UHFFFAOYSA-N
XLogP5.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.43
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
(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
(1R,4S)-2-butylcyclohept-2-ene-1,4-diol
CID 56654610
(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
(E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol
CID 134837176
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-en-1-ol
CID 134846881

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol (CID 24795825) is 5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol is CC(C)(C)[Si](C)(C)OCCCCC(O)C1=CCCCCC1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol?
The InChIKey is VSLDEUWRJYSOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-18(2,3)21(4,5)20-15-11-10-14-17(19)16-12-8-6-7-9-13-16/h12,17,19H,6-11,13-15H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol?
5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol has a molecular weight of 312.57 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol is sourced from PubChem (CID 24795825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).