(2E)-2-(2-methyl-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid

C16H20O2 — CID 84631320

IUPAC(2E)-2-(2-methyl-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
SMILESCC1CCc2ccc(C(C)C)cc2/C1=C/C(=O)O
InChIInChI=1S/C16H20O2/c1-10(2)13-7-6-12-5-4-11(3)14(9-16(17)18)15(12)8-13/h6-11H,4-5H2,1-3H3,(H,17,18)/b14-9+
InChIKeyAKJDWNWSDFTGAT-NTEUORMPSA-N
MW244.33 g/mol
LogP3.86
Rot. Bonds2

About (2E)-2-(2-methyl-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid

(2E)-2-(2-methyl-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid (PubChem CID 84631320) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2E)-2-(2-methyl-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid.

Molecular Properties

Compound Name(2E)-2-(2-methyl-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
PubChem CID84631320
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(2E)-2-(2-methyl-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
SMILESCC1CCc2ccc(C(C)C)cc2/C1=C/C(=O)O
InChIInChI=1S/C16H20O2/c1-10(2)13-7-6-12-5-4-11(3)14(9-16(17)18)15(12)8-13/h6-11H,4-5H2,1-3H3,(H,17,18)/b14-9+
InChIKeyAKJDWNWSDFTGAT-NTEUORMPSA-N
XLogP3.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-methyl-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid?
The IUPAC name of (2E)-2-(2-methyl-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid (CID 84631320) is (2E)-2-(2-methyl-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid.
What is the SMILES notation for (2E)-2-(2-methyl-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid?
The canonical SMILES for (2E)-2-(2-methyl-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid is CC1CCc2ccc(C(C)C)cc2/C1=C/C(=O)O.
What is the InChIKey of (2E)-2-(2-methyl-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid?
The InChIKey is AKJDWNWSDFTGAT-NTEUORMPSA-N. The full InChI is InChI=1S/C16H20O2/c1-10(2)13-7-6-12-5-4-11(3)14(9-16(17)18)15(12)8-13/h6-11H,4-5H2,1-3H3,(H,17,18)/b14-9+.
What are the key properties of (2E)-2-(2-methyl-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid?
(2E)-2-(2-methyl-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid has a molecular weight of 244.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-methyl-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid is sourced from PubChem (CID 84631320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).