(2E)-2-[(4-propoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid

C26H44O6Si — CID 142687772

IUPAC(2E)-2-[(4-propoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid
SMILESCCCOc1ccc(/C=C(\CCCCCCCC[Si](OCC)(OCC)OCC)C(=O)O)cc1
InChIInChI=1S/C26H44O6Si/c1-5-20-29-25-18-16-23(17-19-25)22-24(26(27)28)15-13-11-9-10-12-14-21-33(30-6-2,31-7-3)32-8-4/h16-19,22H,5-15,20-21H2,1-4H3,(H,27,28)/b24-22+
InChIKeyRXERHUKDEQZOTL-ZNTNEXAZSA-N
MW480.72 g/mol
LogP6.72
Rot. Bonds20

About (2E)-2-[(4-propoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid

(2E)-2-[(4-propoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid (PubChem CID 142687772) has the molecular formula C26H44O6Si and a molecular weight of 480.72 g/mol. Its IUPAC name is (2E)-2-[(4-propoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid.

Molecular Properties

Compound Name(2E)-2-[(4-propoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid
PubChem CID142687772
Molecular FormulaC26H44O6Si
Molecular Weight480.72 g/mol
Exact Mass480.29
IUPAC Name(2E)-2-[(4-propoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid
SMILESCCCOc1ccc(/C=C(\CCCCCCCC[Si](OCC)(OCC)OCC)C(=O)O)cc1
InChIInChI=1S/C26H44O6Si/c1-5-20-29-25-18-16-23(17-19-25)22-24(26(27)28)15-13-11-9-10-12-14-21-33(30-6-2,31-7-3)32-8-4/h16-19,22H,5-15,20-21H2,1-4H3,(H,27,28)/b24-22+
InChIKeyRXERHUKDEQZOTL-ZNTNEXAZSA-N
XLogP6.72
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.72
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid
CID 142687822
(2E)-2-[(3-decoxy-4-methoxyphenyl)methylidene]-8-triethoxysilyloctanoic acid
CID 142687780
(2E)-2-[[4-(3,4-dimethoxybenzoyl)oxyphenyl]methylidene]-8-triethoxysilyloctanoic acid
CID 142687771
2-(bromomethyl)-3-(4-propoxyphenyl)prop-2-enoic acid
CID 54436128
2-[(4-methoxyphenyl)methylidene]octanoic acid
CID 67426612
2-(acetylsulfanylmethyl)-3-(4-propoxyphenyl)prop-2-enoic acid
CID 54411996
triethoxy(5-phenoxypentyl)silane
CID 69261827
2-[(4-butoxyphenyl)methylidene]propanedioic acid
CID 21291628
(3-triethoxysilylpropylamino) (E)-3-(4-tetradecoxyphenyl)prop-2-enoate
CID 102012373
3-[4-butoxy-3-(6-triethoxysilylhexanoyloxy)phenyl]prop-2-enoic acid
CID 67576318
(2E)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4-oxo-2-[(4-propoxyphenyl)methylidene]butanoic acid
CID 69029327
18-triethoxysilyloctadecanoic acid
CID 87685990

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-propoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid?
The IUPAC name of (2E)-2-[(4-propoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid (CID 142687772) is (2E)-2-[(4-propoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid.
What is the SMILES notation for (2E)-2-[(4-propoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid?
The canonical SMILES for (2E)-2-[(4-propoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid is CCCOc1ccc(/C=C(\CCCCCCCC[Si](OCC)(OCC)OCC)C(=O)O)cc1.
What is the InChIKey of (2E)-2-[(4-propoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid?
The InChIKey is RXERHUKDEQZOTL-ZNTNEXAZSA-N. The full InChI is InChI=1S/C26H44O6Si/c1-5-20-29-25-18-16-23(17-19-25)22-24(26(27)28)15-13-11-9-10-12-14-21-33(30-6-2,31-7-3)32-8-4/h16-19,22H,5-15,20-21H2,1-4H3,(H,27,28)/b24-22+.
What are the key properties of (2E)-2-[(4-propoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid?
(2E)-2-[(4-propoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid has a molecular weight of 480.72 g/mol, XLogP of 6.72, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-propoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid is sourced from PubChem (CID 142687772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).