1-(3,3-dimethylcyclopropen-1-yl)-3-tri(propan-2-yl)silyloxypropan-1-ol

C17H34O2Si — CID 102196548

IUPAC1-(3,3-dimethylcyclopropen-1-yl)-3-tri(propan-2-yl)silyloxypropan-1-ol
SMILESCC(C)[Si](OCCC(O)C1=CC1(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O2Si/c1-12(2)20(13(3)4,14(5)6)19-10-9-16(18)15-11-17(15,7)8/h11-14,16,18H,9-10H2,1-8H3
InChIKeyOGOCKQRONJNRNM-UHFFFAOYSA-N
MW298.54 g/mol
LogP4.90
Rot. Bonds8

About 1-(3,3-dimethylcyclopropen-1-yl)-3-tri(propan-2-yl)silyloxypropan-1-ol

1-(3,3-dimethylcyclopropen-1-yl)-3-tri(propan-2-yl)silyloxypropan-1-ol (PubChem CID 102196548) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclopropen-1-yl)-3-tri(propan-2-yl)silyloxypropan-1-ol.

Molecular Properties

Compound Name1-(3,3-dimethylcyclopropen-1-yl)-3-tri(propan-2-yl)silyloxypropan-1-ol
PubChem CID102196548
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name1-(3,3-dimethylcyclopropen-1-yl)-3-tri(propan-2-yl)silyloxypropan-1-ol
SMILESCC(C)[Si](OCCC(O)C1=CC1(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O2Si/c1-12(2)20(13(3)4,14(5)6)19-10-9-16(18)15-11-17(15,7)8/h11-14,16,18H,9-10H2,1-8H3
InChIKeyOGOCKQRONJNRNM-UHFFFAOYSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.90
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

(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10682670
(Z,4S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-en-1-ol
CID 10693252
(Z,3S,5S,8R)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10706388
(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
CID 11440071
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(E,2R,3R)-2,4,6,6-tetramethyl-1-triethylsilyloxyhept-4-en-3-ol
CID 102289950
(E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol
CID 134863671
(E,2R,3S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-en-3-ol
CID 134863673
(E,2R,3R,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-en-3-ol
CID 134865998
(Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-2-en-1-ol
CID 134952069
(E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol
CID 134965208

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclopropen-1-yl)-3-tri(propan-2-yl)silyloxypropan-1-ol?
The IUPAC name of 1-(3,3-dimethylcyclopropen-1-yl)-3-tri(propan-2-yl)silyloxypropan-1-ol (CID 102196548) is 1-(3,3-dimethylcyclopropen-1-yl)-3-tri(propan-2-yl)silyloxypropan-1-ol.
What is the SMILES notation for 1-(3,3-dimethylcyclopropen-1-yl)-3-tri(propan-2-yl)silyloxypropan-1-ol?
The canonical SMILES for 1-(3,3-dimethylcyclopropen-1-yl)-3-tri(propan-2-yl)silyloxypropan-1-ol is CC(C)[Si](OCCC(O)C1=CC1(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-(3,3-dimethylcyclopropen-1-yl)-3-tri(propan-2-yl)silyloxypropan-1-ol?
The InChIKey is OGOCKQRONJNRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-12(2)20(13(3)4,14(5)6)19-10-9-16(18)15-11-17(15,7)8/h11-14,16,18H,9-10H2,1-8H3.
What are the key properties of 1-(3,3-dimethylcyclopropen-1-yl)-3-tri(propan-2-yl)silyloxypropan-1-ol?
1-(3,3-dimethylcyclopropen-1-yl)-3-tri(propan-2-yl)silyloxypropan-1-ol has a molecular weight of 298.54 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclopropen-1-yl)-3-tri(propan-2-yl)silyloxypropan-1-ol is sourced from PubChem (CID 102196548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).