[(3R)-3-(1-ethoxyprop-2-enoxy)hex-5-en-1-ynyl]-tri(propan-2-yl)silane

C20H36O2Si — CID 44556750

IUPAC[(3R)-3-(1-ethoxyprop-2-enoxy)hex-5-en-1-ynyl]-tri(propan-2-yl)silane
SMILESC=CC[C@H](C#C[Si](C(C)C)(C(C)C)C(C)C)OC(C=C)OCC
InChIInChI=1S/C20H36O2Si/c1-10-13-19(22-20(11-2)21-12-3)14-15-23(16(4)5,17(6)7)18(8)9/h10-11,16-20H,1-2,12-13H2,3-9H3/t19-,20?/m1/s1
InChIKeyJNIYXCCFLPYJRB-FIWHBWSRSA-N
MW336.59 g/mol
LogP5.72
Rot. Bonds10

About [(3R)-3-(1-ethoxyprop-2-enoxy)hex-5-en-1-ynyl]-tri(propan-2-yl)silane

[(3R)-3-(1-ethoxyprop-2-enoxy)hex-5-en-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 44556750) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is [(3R)-3-(1-ethoxyprop-2-enoxy)hex-5-en-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3R)-3-(1-ethoxyprop-2-enoxy)hex-5-en-1-ynyl]-tri(propan-2-yl)silane
PubChem CID44556750
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Name[(3R)-3-(1-ethoxyprop-2-enoxy)hex-5-en-1-ynyl]-tri(propan-2-yl)silane
SMILESC=CC[C@H](C#C[Si](C(C)C)(C(C)C)C(C)C)OC(C=C)OCC
InChIInChI=1S/C20H36O2Si/c1-10-13-19(22-20(11-2)21-12-3)14-15-23(16(4)5,17(6)7)18(8)9/h10-11,16-20H,1-2,12-13H2,3-9H3/t19-,20?/m1/s1
InChIKeyJNIYXCCFLPYJRB-FIWHBWSRSA-N
XLogP5.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tri(propan-2-yl)-[2-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]ethynyl]silane
CID 11267255
2-[(2R)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]ethynyl-tri(propan-2-yl)silane
CID 44556775
3-(Methoxymethoxy)hex-5-en-1-ynyl-trimethylsilane
CID 10262843
triethyl-[2-[(2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethynyl]silane
CID 24740710
trimethyl-[2-[[(2R,3Z,6S)-6-prop-2-enoxyocta-3,7-dien-2-yl]oxymethoxy]ethyl]silane
CID 66559818
trimethyl-[2-[[(2R,3Z,6S)-6-prop-2-ynoxyocta-3,7-dien-2-yl]oxymethoxy]ethyl]silane
CID 66559895
2-[(2S,6S)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethynyl-tri(propan-2-yl)silane
CID 101198086
3-(Methoxymethoxy)pent-4-en-1-ynyl-tri(propan-2-yl)silane
CID 132510773

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1-ethoxyprop-2-enoxy)hex-5-en-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(3R)-3-(1-ethoxyprop-2-enoxy)hex-5-en-1-ynyl]-tri(propan-2-yl)silane (CID 44556750) is [(3R)-3-(1-ethoxyprop-2-enoxy)hex-5-en-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(3R)-3-(1-ethoxyprop-2-enoxy)hex-5-en-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(3R)-3-(1-ethoxyprop-2-enoxy)hex-5-en-1-ynyl]-tri(propan-2-yl)silane is C=CC[C@H](C#C[Si](C(C)C)(C(C)C)C(C)C)OC(C=C)OCC.
What is the InChIKey of [(3R)-3-(1-ethoxyprop-2-enoxy)hex-5-en-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is JNIYXCCFLPYJRB-FIWHBWSRSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-10-13-19(22-20(11-2)21-12-3)14-15-23(16(4)5,17(6)7)18(8)9/h10-11,16-20H,1-2,12-13H2,3-9H3/t19-,20?/m1/s1.
What are the key properties of [(3R)-3-(1-ethoxyprop-2-enoxy)hex-5-en-1-ynyl]-tri(propan-2-yl)silane?
[(3R)-3-(1-ethoxyprop-2-enoxy)hex-5-en-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 336.59 g/mol, XLogP of 5.72, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1-ethoxyprop-2-enoxy)hex-5-en-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 44556750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).