[3-methoxy-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane

C21H36O2Si — CID 25229506

IUPAC[3-methoxy-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane
SMILESC=CCC1(CC=C)C=C(OC)C=C1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H36O2Si/c1-10-12-21(13-11-2)15-19(22-9)14-20(21)23-24(16(3)4,17(5)6)18(7)8/h10-11,14-18H,1-2,12-13H2,3-9H3
InChIKeyLNJHUGYIYRQHCZ-UHFFFAOYSA-N
MW348.60 g/mol
LogP6.74
Rot. Bonds10

About [3-methoxy-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane

[3-methoxy-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 25229506) has the molecular formula C21H36O2Si and a molecular weight of 348.60 g/mol. Its IUPAC name is [3-methoxy-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-methoxy-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID25229506
Molecular FormulaC21H36O2Si
Molecular Weight348.60 g/mol
Exact Mass348.25
IUPAC Name[3-methoxy-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane
SMILESC=CCC1(CC=C)C=C(OC)C=C1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H36O2Si/c1-10-12-21(13-11-2)15-19(22-9)14-20(21)23-24(16(3)4,17(5)6)18(7)8/h10-11,14-18H,1-2,12-13H2,3-9H3
InChIKeyLNJHUGYIYRQHCZ-UHFFFAOYSA-N
XLogP6.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.60
LogP ≤ 56.74
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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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [3-methoxy-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane (CID 25229506) is [3-methoxy-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [3-methoxy-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [3-methoxy-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane is C=CCC1(CC=C)C=C(OC)C=C1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [3-methoxy-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is LNJHUGYIYRQHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2Si/c1-10-12-21(13-11-2)15-19(22-9)14-20(21)23-24(16(3)4,17(5)6)18(7)8/h10-11,14-18H,1-2,12-13H2,3-9H3.
What are the key properties of [3-methoxy-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane?
[3-methoxy-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 348.60 g/mol, XLogP of 6.74, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 25229506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).