[(2E,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylmethoxybut-3-en-2-yloxy)-di(propan-2-yl)silane

C24H38O3Si — CID 11361669

IUPAC[(2E,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylmethoxybut-3-en-2-yloxy)-di(propan-2-yl)silane
SMILESC=CC(COCc1ccccc1)O[Si](OC(/C=C/C)/C=C/C)(C(C)C)C(C)C
InChIInChI=1S/C24H38O3Si/c1-8-14-24(15-9-2)27-28(20(4)5,21(6)7)26-23(10-3)19-25-18-22-16-12-11-13-17-22/h8-17,20-21,23-24H,3,18-19H2,1-2,4-7H3/b14-8+,15-9+
InChIKeyANWUQZLAPXCDJM-VOMDNODZSA-N
MW402.65 g/mol
LogP6.57
Rot. Bonds13

About [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylmethoxybut-3-en-2-yloxy)-di(propan-2-yl)silane

[(2E,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylmethoxybut-3-en-2-yloxy)-di(propan-2-yl)silane (PubChem CID 11361669) has the molecular formula C24H38O3Si and a molecular weight of 402.65 g/mol. Its IUPAC name is [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylmethoxybut-3-en-2-yloxy)-di(propan-2-yl)silane.

Molecular Properties

Compound Name[(2E,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylmethoxybut-3-en-2-yloxy)-di(propan-2-yl)silane
PubChem CID11361669
Molecular FormulaC24H38O3Si
Molecular Weight402.65 g/mol
Exact Mass402.26
IUPAC Name[(2E,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylmethoxybut-3-en-2-yloxy)-di(propan-2-yl)silane
SMILESC=CC(COCc1ccccc1)O[Si](OC(/C=C/C)/C=C/C)(C(C)C)C(C)C
InChIInChI=1S/C24H38O3Si/c1-8-14-24(15-9-2)27-28(20(4)5,21(6)7)26-23(10-3)19-25-18-22-16-12-11-13-17-22/h8-17,20-21,23-24H,3,18-19H2,1-2,4-7H3/b14-8+,15-9+
InChIKeyANWUQZLAPXCDJM-VOMDNODZSA-N
XLogP6.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.65
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylmethoxybut-3-en-2-yloxy)-di(propan-2-yl)silane?
The IUPAC name of [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylmethoxybut-3-en-2-yloxy)-di(propan-2-yl)silane (CID 11361669) is [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylmethoxybut-3-en-2-yloxy)-di(propan-2-yl)silane.
What is the SMILES notation for [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylmethoxybut-3-en-2-yloxy)-di(propan-2-yl)silane?
The canonical SMILES for [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylmethoxybut-3-en-2-yloxy)-di(propan-2-yl)silane is C=CC(COCc1ccccc1)O[Si](OC(/C=C/C)/C=C/C)(C(C)C)C(C)C.
What is the InChIKey of [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylmethoxybut-3-en-2-yloxy)-di(propan-2-yl)silane?
The InChIKey is ANWUQZLAPXCDJM-VOMDNODZSA-N. The full InChI is InChI=1S/C24H38O3Si/c1-8-14-24(15-9-2)27-28(20(4)5,21(6)7)26-23(10-3)19-25-18-22-16-12-11-13-17-22/h8-17,20-21,23-24H,3,18-19H2,1-2,4-7H3/b14-8+,15-9+.
What are the key properties of [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylmethoxybut-3-en-2-yloxy)-di(propan-2-yl)silane?
[(2E,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylmethoxybut-3-en-2-yloxy)-di(propan-2-yl)silane has a molecular weight of 402.65 g/mol, XLogP of 6.57, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylmethoxybut-3-en-2-yloxy)-di(propan-2-yl)silane is sourced from PubChem (CID 11361669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).