[(1S,3S)-2,2-diethyl-3-methoxy-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane

C22H44O2Si — CID 139253914

About [(1S,3S)-2,2-diethyl-3-methoxy-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane

[(1S,3S)-2,2-diethyl-3-methoxy-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane (PubChem CID 139253914) has the molecular formula C22H44O2Si and a molecular weight of 368.68 g/mol. Its IUPAC name is [(1S,3S)-2,2-diethyl-3-methoxy-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(1S,3S)-2,2-diethyl-3-methoxy-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
• PubChem CID: 139253914
• Molecular Formula: C22H44O2Si
• Molecular Weight: 368.68 g/mol
• Exact Mass: 368.31
• IUPAC Name: [(1S,3S)-2,2-diethyl-3-methoxy-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
• SMILES: C=C(C)C1C[C@H](OC)C(CC)(CC)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C22H44O2Si/c1-12-22(13-2)20(23-11)14-19(15(3)4)21(22)24-25(16(5)6,17(7)8)18(9)10/h16-21H,3,12-14H2,1-2,4-11H3/t19?,20-,21-/m0/s1
• InChIKey: ZHAQCYLACHRLFR-AKQSQHNNSA-N
• XLogP: 6.96
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.68
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-2,2-diethyl-3-methoxy-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane?

The IUPAC name of [(1S,3S)-2,2-diethyl-3-methoxy-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane (CID 139253914) is [(1S,3S)-2,2-diethyl-3-methoxy-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane.

What is the SMILES notation for [(1S,3S)-2,2-diethyl-3-methoxy-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane?

The canonical SMILES for [(1S,3S)-2,2-diethyl-3-methoxy-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane is C=C(C)C1C[C@H](OC)C(CC)(CC)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of [(1S,3S)-2,2-diethyl-3-methoxy-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane?

The InChIKey is ZHAQCYLACHRLFR-AKQSQHNNSA-N. The full InChI is InChI=1S/C22H44O2Si/c1-12-22(13-2)20(23-11)14-19(15(3)4)21(22)24-25(16(5)6,17(7)8)18(9)10/h16-21H,3,12-14H2,1-2,4-11H3/t19?,20-,21-/m0/s1.

What are the key properties of [(1S,3S)-2,2-diethyl-3-methoxy-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane?

[(1S,3S)-2,2-diethyl-3-methoxy-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane has a molecular weight of 368.68 g/mol, XLogP of 6.96, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3S)-2,2-diethyl-3-methoxy-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 139253914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).