naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate

C16H14O3 — CID 176885863

IUPACnaphthalen-1-yl 2-prop-2-enoxyprop-2-enoate
SMILESC=CCOC(=C)C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C16H14O3/c1-3-11-18-12(2)16(17)19-15-10-6-8-13-7-4-5-9-14(13)15/h3-10H,1-2,11H2
InChIKeyHWYFUDWKPARVHW-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.46
Rot. Bonds5

About naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate

naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate (PubChem CID 176885863) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate.

Molecular Properties

Compound Namenaphthalen-1-yl 2-prop-2-enoxyprop-2-enoate
PubChem CID176885863
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Namenaphthalen-1-yl 2-prop-2-enoxyprop-2-enoate
SMILESC=CCOC(=C)C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C16H14O3/c1-3-11-18-12(2)16(17)19-15-10-6-8-13-7-4-5-9-14(13)15/h3-10H,1-2,11H2
InChIKeyHWYFUDWKPARVHW-UHFFFAOYSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

naphthalen-1-yl prop-2-enoate
CID 10192638
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
2-O-naphthalen-1-yl 1-O-phenyl oxalate
CID 57149132
4-naphthalen-1-yloxy-3,4-dioxobutanoic acid
CID 54039245
naphthalen-1-yl 2-methylpent-2-enoate
CID 174366930
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
naphthalen-1-yl (2R)-2-aminopropanoate
CID 18639263
naphthalen-1-yl (E)-2-iodo-3-methylsulfanylprop-2-enoate
CID 156772115
naphthalen-1-yl 2-chloroacetate
CID 588968
naphthalen-1-yl 2-amino-2-methylpropanoate
CID 70178534
4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one
CID 70402211

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate?
The IUPAC name of naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate (CID 176885863) is naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate.
What is the SMILES notation for naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate?
The canonical SMILES for naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate is C=CCOC(=C)C(=O)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate?
The InChIKey is HWYFUDWKPARVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-3-11-18-12(2)16(17)19-15-10-6-8-13-7-4-5-9-14(13)15/h3-10H,1-2,11H2.
What are the key properties of naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate?
naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate has a molecular weight of 254.28 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate is sourced from PubChem (CID 176885863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).