(E)-2-methyl-5-naphthalen-2-ylpent-2-enal

C16H16O — CID 10704370

IUPAC(E)-2-methyl-5-naphthalen-2-ylpent-2-enal
SMILESC/C(C=O)=C\CCc1ccc2ccccc2c1
InChIInChI=1S/C16H16O/c1-13(12-17)5-4-6-14-9-10-15-7-2-3-8-16(15)11-14/h2-3,5,7-12H,4,6H2,1H3/b13-5+
InChIKeyZHSPPXMVGONFEN-WLRTZDKTSA-N
MW224.30 g/mol
LogP3.92
Rot. Bonds4

About (E)-2-methyl-5-naphthalen-2-ylpent-2-enal

(E)-2-methyl-5-naphthalen-2-ylpent-2-enal (PubChem CID 10704370) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is (E)-2-methyl-5-naphthalen-2-ylpent-2-enal.

Molecular Properties

Compound Name(E)-2-methyl-5-naphthalen-2-ylpent-2-enal
PubChem CID10704370
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name(E)-2-methyl-5-naphthalen-2-ylpent-2-enal
SMILESC/C(C=O)=C\CCc1ccc2ccccc2c1
InChIInChI=1S/C16H16O/c1-13(12-17)5-4-6-14-9-10-15-7-2-3-8-16(15)11-14/h2-3,5,7-12H,4,6H2,1H3/b13-5+
InChIKeyZHSPPXMVGONFEN-WLRTZDKTSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-naphthalen-2-ylpentan-2-one
CID 177221326
N-(2-naphthalen-2-ylethyl)formamide
CID 12581518
2-[(E)-hexadec-3-enyl]naphthalene
CID 101307554
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
2-(3-iodobutyl)naphthalene
CID 162353144
(2R)-4-naphthalen-2-ylbutan-2-amine
CID 131577314
N-(naphthalen-2-ylmethyl)-2-oxoacetamide
CID 54357597
6-naphthalen-2-ylhexan-2-ol
CID 19933710
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
benzaldehyde;2-(2-bromoethyl)naphthalene
CID 174551733
6-methyl-8-naphthalen-2-yl-1-phosphonooct-5-ene-1-sulfonic acid
CID 54273551
CID 57459119
CID 57459119

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-5-naphthalen-2-ylpent-2-enal?
The IUPAC name of (E)-2-methyl-5-naphthalen-2-ylpent-2-enal (CID 10704370) is (E)-2-methyl-5-naphthalen-2-ylpent-2-enal.
What is the SMILES notation for (E)-2-methyl-5-naphthalen-2-ylpent-2-enal?
The canonical SMILES for (E)-2-methyl-5-naphthalen-2-ylpent-2-enal is C/C(C=O)=C\CCc1ccc2ccccc2c1.
What is the InChIKey of (E)-2-methyl-5-naphthalen-2-ylpent-2-enal?
The InChIKey is ZHSPPXMVGONFEN-WLRTZDKTSA-N. The full InChI is InChI=1S/C16H16O/c1-13(12-17)5-4-6-14-9-10-15-7-2-3-8-16(15)11-14/h2-3,5,7-12H,4,6H2,1H3/b13-5+.
What are the key properties of (E)-2-methyl-5-naphthalen-2-ylpent-2-enal?
(E)-2-methyl-5-naphthalen-2-ylpent-2-enal has a molecular weight of 224.30 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-5-naphthalen-2-ylpent-2-enal is sourced from PubChem (CID 10704370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).