(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enoic acid

C23H34O2 — CID 70217965

IUPAC(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enoic acid
SMILESCCCCCC/C=C(/C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H34O2/c1-6-7-8-9-10-11-18(21(24)25)17-12-13-19-20(16-17)23(4,5)15-14-22(19,2)3/h11-13,16H,6-10,14-15H2,1-5H3,(H,24,25)/b18-11+
InChIKeyFIRPQROFHOWVAG-WOJGMQOQSA-N
MW342.52 g/mol
LogP6.47
Rot. Bonds7

About (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enoic acid

(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enoic acid (PubChem CID 70217965) has the molecular formula C23H34O2 and a molecular weight of 342.52 g/mol. Its IUPAC name is (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enoic acid.

Molecular Properties

Compound Name(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enoic acid
PubChem CID70217965
Molecular FormulaC23H34O2
Molecular Weight342.52 g/mol
Exact Mass342.26
IUPAC Name(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enoic acid
SMILESCCCCCC/C=C(/C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H34O2/c1-6-7-8-9-10-11-18(21(24)25)17-12-13-19-20(16-17)23(4,5)15-14-22(19,2)3/h11-13,16H,6-10,14-15H2,1-5H3,(H,24,25)/b18-11+
InChIKeyFIRPQROFHOWVAG-WOJGMQOQSA-N
XLogP6.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)hexadec-2-enoyl]amino]benzoic acid
CID 70216590
(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enal
CID 173323218
2-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)undec-2-enoylamino]benzoic acid
CID 67559413
4-[hexyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid
CID 139786105
4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)hex-1-enyl]benzoic acid
CID 69104630
3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enylphosphanium bromide
CID 67764044
6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 23002530
4-oxo-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid;zinc
CID 67884276
2-methylidene-3-phenylpentadec-3-enoic acid
CID 173433736
4-[[hexyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]amino]benzoic acid
CID 22596842
(Z)-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octadec-9-enoic acid
CID 176888341
[[2-dodecoxyimino-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]amino] benzoate
CID 173309753

Frequently Asked Questions

What is the IUPAC name of (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enoic acid?
The IUPAC name of (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enoic acid (CID 70217965) is (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enoic acid.
What is the SMILES notation for (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enoic acid?
The canonical SMILES for (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enoic acid is CCCCCC/C=C(/C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enoic acid?
The InChIKey is FIRPQROFHOWVAG-WOJGMQOQSA-N. The full InChI is InChI=1S/C23H34O2/c1-6-7-8-9-10-11-18(21(24)25)17-12-13-19-20(16-17)23(4,5)15-14-22(19,2)3/h11-13,16H,6-10,14-15H2,1-5H3,(H,24,25)/b18-11+.
What are the key properties of (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enoic acid?
(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enoic acid has a molecular weight of 342.52 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)non-2-enoic acid is sourced from PubChem (CID 70217965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).