(2R)-2-methyl-2-naphthalen-2-ylpent-4-enal

C16H16O — CID 177440072

IUPAC(2R)-2-methyl-2-naphthalen-2-ylpent-4-enal
SMILESC=CC[C@@](C)(C=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H16O/c1-3-10-16(2,12-17)15-9-8-13-6-4-5-7-14(13)11-15/h3-9,11-12H,1,10H2,2H3/t16-/m0/s1
InChIKeyJQJDOMDEWXGQLM-INIZCTEOSA-N
MW224.30 g/mol
LogP3.87
Rot. Bonds4

About (2R)-2-methyl-2-naphthalen-2-ylpent-4-enal

(2R)-2-methyl-2-naphthalen-2-ylpent-4-enal (PubChem CID 177440072) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is (2R)-2-methyl-2-naphthalen-2-ylpent-4-enal.

Molecular Properties

Compound Name(2R)-2-methyl-2-naphthalen-2-ylpent-4-enal
PubChem CID177440072
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name(2R)-2-methyl-2-naphthalen-2-ylpent-4-enal
SMILESC=CC[C@@](C)(C=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H16O/c1-3-10-16(2,12-17)15-9-8-13-6-4-5-7-14(13)11-15/h3-9,11-12H,1,10H2,2H3/t16-/m0/s1
InChIKeyJQJDOMDEWXGQLM-INIZCTEOSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831
(2R)-2-hydroxy-2-naphthalen-2-ylpropanal
CID 122375981
ethyl 2-formyl-2-naphthalen-2-ylpent-4-enoate
CID 122202564
2-(trinaphthalen-2-ylmethyl)naphthalene
CID 101401266
(4S,5E,7E)-8-[tert-butyl(dimethyl)silyl]oxy-4-naphthalen-2-ylocta-1,5,7-trien-4-ol
CID 101388497
3-methylhexa-1,5-dien-3-yl(naphthalen-2-yl)diazene
CID 145441469
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
CID 159502457
2-(2,4,4-trimethylpentan-2-yl)naphthalene
CID 18987503
2-methyl-2-naphthalen-2-ylpropane-1-thiol
CID 116866528
3-(methylamino)-3-naphthalen-2-ylbutanoic acid
CID 65236663
2-naphthalen-2-yl-1-(propylamino)propan-2-ol
CID 62772418
1-amino-2-naphthalen-2-ylpropan-2-ol
CID 62773964

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-naphthalen-2-ylpent-4-enal?
The IUPAC name of (2R)-2-methyl-2-naphthalen-2-ylpent-4-enal (CID 177440072) is (2R)-2-methyl-2-naphthalen-2-ylpent-4-enal.
What is the SMILES notation for (2R)-2-methyl-2-naphthalen-2-ylpent-4-enal?
The canonical SMILES for (2R)-2-methyl-2-naphthalen-2-ylpent-4-enal is C=CC[C@@](C)(C=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-methyl-2-naphthalen-2-ylpent-4-enal?
The InChIKey is JQJDOMDEWXGQLM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16O/c1-3-10-16(2,12-17)15-9-8-13-6-4-5-7-14(13)11-15/h3-9,11-12H,1,10H2,2H3/t16-/m0/s1.
What are the key properties of (2R)-2-methyl-2-naphthalen-2-ylpent-4-enal?
(2R)-2-methyl-2-naphthalen-2-ylpent-4-enal has a molecular weight of 224.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-naphthalen-2-ylpent-4-enal is sourced from PubChem (CID 177440072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).