naphthalen-2-yl undec-10-enoate

C21H26O2 — CID 4206376

IUPACnaphthalen-2-yl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-9-14-21(22)23-20-16-15-18-12-10-11-13-19(18)17-20/h2,10-13,15-17H,1,3-9,14H2
InChIKeyUMVCMSSRTJSSCJ-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.05
Rot. Bonds10

About naphthalen-2-yl undec-10-enoate

naphthalen-2-yl undec-10-enoate (PubChem CID 4206376) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is naphthalen-2-yl undec-10-enoate.

Molecular Properties

Compound Namenaphthalen-2-yl undec-10-enoate
PubChem CID4206376
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Namenaphthalen-2-yl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-9-14-21(22)23-20-16-15-18-12-10-11-13-19(18)17-20/h2,10-13,15-17H,1,3-9,14H2
InChIKeyUMVCMSSRTJSSCJ-UHFFFAOYSA-N
XLogP6.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl undec-10-enoate?
The IUPAC name of naphthalen-2-yl undec-10-enoate (CID 4206376) is naphthalen-2-yl undec-10-enoate.
What is the SMILES notation for naphthalen-2-yl undec-10-enoate?
The canonical SMILES for naphthalen-2-yl undec-10-enoate is C=CCCCCCCCCC(=O)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl undec-10-enoate?
The InChIKey is UMVCMSSRTJSSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-9-14-21(22)23-20-16-15-18-12-10-11-13-19(18)17-20/h2,10-13,15-17H,1,3-9,14H2.
What are the key properties of naphthalen-2-yl undec-10-enoate?
naphthalen-2-yl undec-10-enoate has a molecular weight of 310.44 g/mol, XLogP of 6.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl undec-10-enoate is sourced from PubChem (CID 4206376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).