bis[[(3S)-3-ethenylcyclohexa-1,5-dien-1-yl]oxy]-di(propan-2-yl)silane

C22H32O2Si — CID 134852037

IUPACbis[[(3S)-3-ethenylcyclohexa-1,5-dien-1-yl]oxy]-di(propan-2-yl)silane
SMILESC=C[C@H]1C=C(O[Si](OC2=C[C@H](C=C)CC=C2)(C(C)C)C(C)C)C=CC1
InChIInChI=1S/C22H32O2Si/c1-7-19-11-9-13-21(15-19)23-25(17(3)4,18(5)6)24-22-14-10-12-20(8-2)16-22/h7-10,13-20H,1-2,11-12H2,3-6H3/t19-,20-/m1/s1
InChIKeyRJVRSRAQZVYKNV-WOJBJXKFSA-N
MW356.58 g/mol
LogP6.57
Rot. Bonds8

About bis[[(3S)-3-ethenylcyclohexa-1,5-dien-1-yl]oxy]-di(propan-2-yl)silane

bis[[(3S)-3-ethenylcyclohexa-1,5-dien-1-yl]oxy]-di(propan-2-yl)silane (PubChem CID 134852037) has the molecular formula C22H32O2Si and a molecular weight of 356.58 g/mol. Its IUPAC name is bis[[(3S)-3-ethenylcyclohexa-1,5-dien-1-yl]oxy]-di(propan-2-yl)silane.

Molecular Properties

Compound Namebis[[(3S)-3-ethenylcyclohexa-1,5-dien-1-yl]oxy]-di(propan-2-yl)silane
PubChem CID134852037
Molecular FormulaC22H32O2Si
Molecular Weight356.58 g/mol
Exact Mass356.22
IUPAC Namebis[[(3S)-3-ethenylcyclohexa-1,5-dien-1-yl]oxy]-di(propan-2-yl)silane
SMILESC=C[C@H]1C=C(O[Si](OC2=C[C@H](C=C)CC=C2)(C(C)C)C(C)C)C=CC1
InChIInChI=1S/C22H32O2Si/c1-7-19-11-9-13-21(15-19)23-25(17(3)4,18(5)6)24-22-14-10-12-20(8-2)16-22/h7-10,13-20H,1-2,11-12H2,3-6H3/t19-,20-/m1/s1
InChIKeyRJVRSRAQZVYKNV-WOJBJXKFSA-N
XLogP6.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.58
LogP ≤ 56.57
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 bis[[(3S)-3-ethenylcyclohexa-1,5-dien-1-yl]oxy]-di(propan-2-yl)silane?
The IUPAC name of bis[[(3S)-3-ethenylcyclohexa-1,5-dien-1-yl]oxy]-di(propan-2-yl)silane (CID 134852037) is bis[[(3S)-3-ethenylcyclohexa-1,5-dien-1-yl]oxy]-di(propan-2-yl)silane.
What is the SMILES notation for bis[[(3S)-3-ethenylcyclohexa-1,5-dien-1-yl]oxy]-di(propan-2-yl)silane?
The canonical SMILES for bis[[(3S)-3-ethenylcyclohexa-1,5-dien-1-yl]oxy]-di(propan-2-yl)silane is C=C[C@H]1C=C(O[Si](OC2=C[C@H](C=C)CC=C2)(C(C)C)C(C)C)C=CC1.
What is the InChIKey of bis[[(3S)-3-ethenylcyclohexa-1,5-dien-1-yl]oxy]-di(propan-2-yl)silane?
The InChIKey is RJVRSRAQZVYKNV-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H32O2Si/c1-7-19-11-9-13-21(15-19)23-25(17(3)4,18(5)6)24-22-14-10-12-20(8-2)16-22/h7-10,13-20H,1-2,11-12H2,3-6H3/t19-,20-/m1/s1.
What are the key properties of bis[[(3S)-3-ethenylcyclohexa-1,5-dien-1-yl]oxy]-di(propan-2-yl)silane?
bis[[(3S)-3-ethenylcyclohexa-1,5-dien-1-yl]oxy]-di(propan-2-yl)silane has a molecular weight of 356.58 g/mol, XLogP of 6.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[(3S)-3-ethenylcyclohexa-1,5-dien-1-yl]oxy]-di(propan-2-yl)silane is sourced from PubChem (CID 134852037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).