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

C20H36O2Si — CID 44516378

IUPACtriethyl-[[(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
SMILESC/C=C/[C@H]1OC2=C(CCC2)[C@@H](O[Si](CC)(CC)CC)[C@H]1C(C)C
InChIInChI=1S/C20H36O2Si/c1-7-12-18-19(15(5)6)20(16-13-11-14-17(16)21-18)22-23(8-2,9-3)10-4/h7,12,15,18-20H,8-11,13-14H2,1-6H3/b12-7+/t18-,19+,20-/m1/s1
InChIKeyLYDZVQSMSODGRF-JILLTSJRSA-N
MW336.59 g/mol
LogP6.06
Rot. Bonds7

About 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

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 (PubChem CID 44516378) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametriethyl-[[(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
PubChem CID44516378
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Nametriethyl-[[(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
SMILESC/C=C/[C@H]1OC2=C(CCC2)[C@@H](O[Si](CC)(CC)CC)[C@H]1C(C)C
InChIInChI=1S/C20H36O2Si/c1-7-12-18-19(15(5)6)20(16-13-11-14-17(16)21-18)22-23(8-2,9-3)10-4/h7,12,15,18-20H,8-11,13-14H2,1-6H3/b12-7+/t18-,19+,20-/m1/s1
InChIKeyLYDZVQSMSODGRF-JILLTSJRSA-N
XLogP6.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 56.06
H-Bond Donors ≤ 50
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

tert-butyl-dimethyl-[[(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane
CID 11687948
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
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-dimethyl-[[(2R,4R)-2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane
CID 135015875
tert-butyl-dimethyl-[[(2R,4R)-2-[(Z)-oct-1-en-3-ynyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane
CID 135016358
[(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
[(3R)-3-[3-[(E)-but-2-enoxy]prop-1-en-2-yl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427868
[(3R)-3-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427869
[(3R)-2-butyl-3-[(E)-3-(2-methylprop-2-enoxy)prop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427871

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C/[C@H]1OC2=C(CCC2)[C@@H](O[Si](CC)(CC)CC)[C@H]1C(C)C.
What is the InChIKey of 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?
The InChIKey is LYDZVQSMSODGRF-JILLTSJRSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-7-12-18-19(15(5)6)20(16-13-11-14-17(16)21-18)22-23(8-2,9-3)10-4/h7,12,15,18-20H,8-11,13-14H2,1-6H3/b12-7+/t18-,19+,20-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 336.59 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 44516378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).