sodium (E)-2-naphthalen-1-ylhex-4-enoate

C16H15NaO2 — CID 23665576

IUPACsodium (E)-2-naphthalen-1-ylhex-4-enoate
SMILESC/C=C/CC(C(=O)[O-])c1cccc2ccccc12.[Na+]
InChIInChI=1S/C16H16O2.Na/c1-2-3-9-15(16(17)18)14-11-6-8-12-7-4-5-10-13(12)14;/h2-8,10-11,15H,9H2,1H3,(H,17,18);/q;+1/p-1/b3-2+;
InChIKeySJDCEXAILSGDEQ-SQQVDAMQSA-M
MW262.28 g/mol
LogP-0.36
Rot. Bonds4

About sodium (E)-2-naphthalen-1-ylhex-4-enoate

sodium (E)-2-naphthalen-1-ylhex-4-enoate (PubChem CID 23665576) has the molecular formula C16H15NaO2 and a molecular weight of 262.28 g/mol. Its IUPAC name is sodium (E)-2-naphthalen-1-ylhex-4-enoate.

Molecular Properties

Compound Namesodium (E)-2-naphthalen-1-ylhex-4-enoate
PubChem CID23665576
Molecular FormulaC16H15NaO2
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Namesodium (E)-2-naphthalen-1-ylhex-4-enoate
SMILESC/C=C/CC(C(=O)[O-])c1cccc2ccccc12.[Na+]
InChIInChI=1S/C16H16O2.Na/c1-2-3-9-15(16(17)18)14-11-6-8-12-7-4-5-10-13(12)14;/h2-8,10-11,15H,9H2,1H3,(H,17,18);/q;+1/p-1/b3-2+;
InChIKeySJDCEXAILSGDEQ-SQQVDAMQSA-M
XLogP-0.36
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium (E)-2-naphthalen-1-ylhex-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-1-ylpentanoate
CID 154825316
(2R,3R)-3-azaniumyl-2-hydroxy-3-naphthalen-1-ylpropanoate
CID 40787446
1,2-dinaphthalen-1-ylheptane-1,5,6-trione
CID 140640389
1,2-dinaphthalen-1-yloctane-1,4,5-trione
CID 140640405
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
(Z)-3-phenylhept-5-en-2-one
CID 5363833
3-methoxy-2-naphthalen-1-ylpropanoic acid
CID 84752957
N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide
CID 23140892
methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride
CID 19963460
2,10-dimethyl-3,9-dinaphthalen-1-ylundeca-4,7-dien-6-one
CID 139998255
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129

Frequently Asked Questions

What is the IUPAC name of sodium (E)-2-naphthalen-1-ylhex-4-enoate?
The IUPAC name of sodium (E)-2-naphthalen-1-ylhex-4-enoate (CID 23665576) is sodium (E)-2-naphthalen-1-ylhex-4-enoate.
What is the SMILES notation for sodium (E)-2-naphthalen-1-ylhex-4-enoate?
The canonical SMILES for sodium (E)-2-naphthalen-1-ylhex-4-enoate is C/C=C/CC(C(=O)[O-])c1cccc2ccccc12.[Na+].
What is the InChIKey of sodium (E)-2-naphthalen-1-ylhex-4-enoate?
The InChIKey is SJDCEXAILSGDEQ-SQQVDAMQSA-M. The full InChI is InChI=1S/C16H16O2.Na/c1-2-3-9-15(16(17)18)14-11-6-8-12-7-4-5-10-13(12)14;/h2-8,10-11,15H,9H2,1H3,(H,17,18);/q;+1/p-1/b3-2+;.
What are the key properties of sodium (E)-2-naphthalen-1-ylhex-4-enoate?
sodium (E)-2-naphthalen-1-ylhex-4-enoate has a molecular weight of 262.28 g/mol, XLogP of -0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (E)-2-naphthalen-1-ylhex-4-enoate is sourced from PubChem (CID 23665576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).