[(1S,2S)-2-hex-5-enoxycyclohexyl] 5-triethoxysilylhex-5-enoate

C24H44O6Si — CID 135073430

IUPAC[(1S,2S)-2-hex-5-enoxycyclohexyl] 5-triethoxysilylhex-5-enoate
SMILESC=CCCCCO[C@H]1CCCC[C@@H]1OC(=O)CCCC(=C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C24H44O6Si/c1-6-10-11-14-20-26-22-17-12-13-18-23(22)30-24(25)19-15-16-21(5)31(27-7-2,28-8-3)29-9-4/h6,22-23H,1,5,7-20H2,2-4H3/t22-,23-/m0/s1
InChIKeyRBJQBCNPGAQRBJ-GOTSBHOMSA-N
MW456.70 g/mol
LogP5.53
Rot. Bonds18

About [(1S,2S)-2-hex-5-enoxycyclohexyl] 5-triethoxysilylhex-5-enoate

[(1S,2S)-2-hex-5-enoxycyclohexyl] 5-triethoxysilylhex-5-enoate (PubChem CID 135073430) has the molecular formula C24H44O6Si and a molecular weight of 456.70 g/mol. Its IUPAC name is [(1S,2S)-2-hex-5-enoxycyclohexyl] 5-triethoxysilylhex-5-enoate.

Molecular Properties

Compound Name[(1S,2S)-2-hex-5-enoxycyclohexyl] 5-triethoxysilylhex-5-enoate
PubChem CID135073430
Molecular FormulaC24H44O6Si
Molecular Weight456.70 g/mol
Exact Mass456.29
IUPAC Name[(1S,2S)-2-hex-5-enoxycyclohexyl] 5-triethoxysilylhex-5-enoate
SMILESC=CCCCCO[C@H]1CCCC[C@@H]1OC(=O)CCCC(=C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C24H44O6Si/c1-6-10-11-14-20-26-22-17-12-13-18-23(22)30-24(25)19-15-16-21(5)31(27-7-2,28-8-3)29-9-4/h6,22-23H,1,5,7-20H2,2-4H3/t22-,23-/m0/s1
InChIKeyRBJQBCNPGAQRBJ-GOTSBHOMSA-N
XLogP5.53
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.70
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [(1S,2S)-2-hex-5-enoxycyclohexyl] 5-triethoxysilylhex-5-enoate?
The IUPAC name of [(1S,2S)-2-hex-5-enoxycyclohexyl] 5-triethoxysilylhex-5-enoate (CID 135073430) is [(1S,2S)-2-hex-5-enoxycyclohexyl] 5-triethoxysilylhex-5-enoate.
What is the SMILES notation for [(1S,2S)-2-hex-5-enoxycyclohexyl] 5-triethoxysilylhex-5-enoate?
The canonical SMILES for [(1S,2S)-2-hex-5-enoxycyclohexyl] 5-triethoxysilylhex-5-enoate is C=CCCCCO[C@H]1CCCC[C@@H]1OC(=O)CCCC(=C)[Si](OCC)(OCC)OCC.
What is the InChIKey of [(1S,2S)-2-hex-5-enoxycyclohexyl] 5-triethoxysilylhex-5-enoate?
The InChIKey is RBJQBCNPGAQRBJ-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H44O6Si/c1-6-10-11-14-20-26-22-17-12-13-18-23(22)30-24(25)19-15-16-21(5)31(27-7-2,28-8-3)29-9-4/h6,22-23H,1,5,7-20H2,2-4H3/t22-,23-/m0/s1.
What are the key properties of [(1S,2S)-2-hex-5-enoxycyclohexyl] 5-triethoxysilylhex-5-enoate?
[(1S,2S)-2-hex-5-enoxycyclohexyl] 5-triethoxysilylhex-5-enoate has a molecular weight of 456.70 g/mol, XLogP of 5.53, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-hex-5-enoxycyclohexyl] 5-triethoxysilylhex-5-enoate is sourced from PubChem (CID 135073430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).