6-methylidene-3,3-di(propan-2-yl)-7-(prop-2-enoxymethyl)-1-propyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasiline

C21H36O2Si — CID 158862157

IUPAC6-methylidene-3,3-di(propan-2-yl)-7-(prop-2-enoxymethyl)-1-propyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasiline
SMILESC=CCOCC1=C2C(CC1=C)C[Si](C(C)C)(C(C)C)OC2CCC
InChIInChI=1S/C21H36O2Si/c1-8-10-20-21-18(12-17(7)19(21)13-22-11-9-2)14-24(23-20,15(3)4)16(5)6/h9,15-16,18,20H,2,7-8,10-14H2,1,3-6H3
InChIKeyQLMYZKRNJOOASB-UHFFFAOYSA-N
MW348.60 g/mol
LogP6.03
Rot. Bonds8

About 6-methylidene-3,3-di(propan-2-yl)-7-(prop-2-enoxymethyl)-1-propyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasiline

6-methylidene-3,3-di(propan-2-yl)-7-(prop-2-enoxymethyl)-1-propyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasiline (PubChem CID 158862157) has the molecular formula C21H36O2Si and a molecular weight of 348.60 g/mol. Its IUPAC name is 6-methylidene-3,3-di(propan-2-yl)-7-(prop-2-enoxymethyl)-1-propyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasiline.

Molecular Properties

Compound Name6-methylidene-3,3-di(propan-2-yl)-7-(prop-2-enoxymethyl)-1-propyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasiline
PubChem CID158862157
Molecular FormulaC21H36O2Si
Molecular Weight348.60 g/mol
Exact Mass348.25
IUPAC Name6-methylidene-3,3-di(propan-2-yl)-7-(prop-2-enoxymethyl)-1-propyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasiline
SMILESC=CCOCC1=C2C(CC1=C)C[Si](C(C)C)(C(C)C)OC2CCC
InChIInChI=1S/C21H36O2Si/c1-8-10-20-21-18(12-17(7)19(21)13-22-11-9-2)14-24(23-20,15(3)4)16(5)6/h9,15-16,18,20H,2,7-8,10-14H2,1,3-6H3
InChIKeyQLMYZKRNJOOASB-UHFFFAOYSA-N
XLogP6.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.60
LogP ≤ 56.03
H-Bond Donors ≤ 50
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

tert-butyl-[(1R)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 11430609
[(2S,3R,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane
CID 11794966
triethyl-[[(2S,3R,4R)-3-propan-2-yl-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane
CID 25022822
triethyl-[[(2R,3S,4S)-3-propan-2-yl-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane
CID 44516378
[(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane
CID 134887512
tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134900451
tert-butyl-[(E,3S,8R)-9-[(2S,3S)-3-ethenyloxiran-2-yl]-3,4,8-trimethyl-6-methylidenenon-4-enoxy]-dimethylsilane
CID 135011533
[(1R,5S)-6-butyl-5-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl]oxy-tri(propan-2-yl)silane
CID 135014361
[(3R)-3-[(E)-3-butoxyprop-1-enyl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427857
[(3R)-2-butyl-3-[(E)-3-cyclohexyloxyprop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427859
[(3R)-2-butyl-3-(3-pentan-3-yloxyprop-1-en-2-yl)cyclohexen-1-yl]oxy-triethylsilane
CID 176427862
[(3R)-2-butyl-3-[(E)-3-pentan-3-yloxyprop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427863

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-3,3-di(propan-2-yl)-7-(prop-2-enoxymethyl)-1-propyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasiline?
The IUPAC name of 6-methylidene-3,3-di(propan-2-yl)-7-(prop-2-enoxymethyl)-1-propyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasiline (CID 158862157) is 6-methylidene-3,3-di(propan-2-yl)-7-(prop-2-enoxymethyl)-1-propyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasiline.
What is the SMILES notation for 6-methylidene-3,3-di(propan-2-yl)-7-(prop-2-enoxymethyl)-1-propyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasiline?
The canonical SMILES for 6-methylidene-3,3-di(propan-2-yl)-7-(prop-2-enoxymethyl)-1-propyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasiline is C=CCOCC1=C2C(CC1=C)C[Si](C(C)C)(C(C)C)OC2CCC.
What is the InChIKey of 6-methylidene-3,3-di(propan-2-yl)-7-(prop-2-enoxymethyl)-1-propyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasiline?
The InChIKey is QLMYZKRNJOOASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2Si/c1-8-10-20-21-18(12-17(7)19(21)13-22-11-9-2)14-24(23-20,15(3)4)16(5)6/h9,15-16,18,20H,2,7-8,10-14H2,1,3-6H3.
What are the key properties of 6-methylidene-3,3-di(propan-2-yl)-7-(prop-2-enoxymethyl)-1-propyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasiline?
6-methylidene-3,3-di(propan-2-yl)-7-(prop-2-enoxymethyl)-1-propyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasiline has a molecular weight of 348.60 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-3,3-di(propan-2-yl)-7-(prop-2-enoxymethyl)-1-propyl-1,4,4a,5-tetrahydrocyclopenta[d]oxasiline is sourced from PubChem (CID 158862157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).