[5-[(E)-3-prop-2-enoyloxybut-2-en-2-yl]oxynaphthalen-1-yl] prop-2-enoate

C20H18O5 — CID 118881544

IUPAC[5-[(E)-3-prop-2-enoyloxybut-2-en-2-yl]oxynaphthalen-1-yl] prop-2-enoate
SMILESC=CC(=O)O/C(C)=C(\C)Oc1cccc2c(OC(=O)C=C)cccc12
InChIInChI=1S/C20H18O5/c1-5-19(21)24-14(4)13(3)23-17-11-7-10-16-15(17)9-8-12-18(16)25-20(22)6-2/h5-12H,1-2H2,3-4H3/b14-13+
InChIKeyBYTBKBPKJFTHAC-BUHFOSPRSA-N
MW338.36 g/mol
LogP4.29
Rot. Bonds6

About [5-[(E)-3-prop-2-enoyloxybut-2-en-2-yl]oxynaphthalen-1-yl] prop-2-enoate

[5-[(E)-3-prop-2-enoyloxybut-2-en-2-yl]oxynaphthalen-1-yl] prop-2-enoate (PubChem CID 118881544) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is [5-[(E)-3-prop-2-enoyloxybut-2-en-2-yl]oxynaphthalen-1-yl] prop-2-enoate.

Molecular Properties

Compound Name[5-[(E)-3-prop-2-enoyloxybut-2-en-2-yl]oxynaphthalen-1-yl] prop-2-enoate
PubChem CID118881544
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name[5-[(E)-3-prop-2-enoyloxybut-2-en-2-yl]oxynaphthalen-1-yl] prop-2-enoate
SMILESC=CC(=O)O/C(C)=C(\C)Oc1cccc2c(OC(=O)C=C)cccc12
InChIInChI=1S/C20H18O5/c1-5-19(21)24-14(4)13(3)23-17-11-7-10-16-15(17)9-8-12-18(16)25-20(22)6-2/h5-12H,1-2H2,3-4H3/b14-13+
InChIKeyBYTBKBPKJFTHAC-BUHFOSPRSA-N
XLogP4.29
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
naphthalen-1-yl prop-2-enoate
CID 10192638
(2-methoxyphenyl) prop-2-enoate
CID 22987486
CID 67461549
CID 67461549
[3-(2-phenylethenyl)-2-prop-2-enoyloxyphenyl] prop-2-enoate
CID 174679512
(2-carbazol-9-ylphenyl) prop-2-enoate
CID 174212207
[3-[6,7-di(prop-2-enoyloxy)phenanthren-1-yl]-2-prop-2-enoyloxyphenyl] prop-2-enoate
CID 118013838
[4-[[5-[difluoro-(4-prop-2-enoyloxyphenyl)methoxy]naphthalen-1-yl]oxy-difluoromethyl]phenyl] prop-2-enoate;ethane
CID 123693959
CID 174652422
CID 174652422
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814
diphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium
CID 158173265
quinolin-4-yl prop-2-enoate
CID 59502728

Frequently Asked Questions

What is the IUPAC name of [5-[(E)-3-prop-2-enoyloxybut-2-en-2-yl]oxynaphthalen-1-yl] prop-2-enoate?
The IUPAC name of [5-[(E)-3-prop-2-enoyloxybut-2-en-2-yl]oxynaphthalen-1-yl] prop-2-enoate (CID 118881544) is [5-[(E)-3-prop-2-enoyloxybut-2-en-2-yl]oxynaphthalen-1-yl] prop-2-enoate.
What is the SMILES notation for [5-[(E)-3-prop-2-enoyloxybut-2-en-2-yl]oxynaphthalen-1-yl] prop-2-enoate?
The canonical SMILES for [5-[(E)-3-prop-2-enoyloxybut-2-en-2-yl]oxynaphthalen-1-yl] prop-2-enoate is C=CC(=O)O/C(C)=C(\C)Oc1cccc2c(OC(=O)C=C)cccc12.
What is the InChIKey of [5-[(E)-3-prop-2-enoyloxybut-2-en-2-yl]oxynaphthalen-1-yl] prop-2-enoate?
The InChIKey is BYTBKBPKJFTHAC-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H18O5/c1-5-19(21)24-14(4)13(3)23-17-11-7-10-16-15(17)9-8-12-18(16)25-20(22)6-2/h5-12H,1-2H2,3-4H3/b14-13+.
What are the key properties of [5-[(E)-3-prop-2-enoyloxybut-2-en-2-yl]oxynaphthalen-1-yl] prop-2-enoate?
[5-[(E)-3-prop-2-enoyloxybut-2-en-2-yl]oxynaphthalen-1-yl] prop-2-enoate has a molecular weight of 338.36 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-3-prop-2-enoyloxybut-2-en-2-yl]oxynaphthalen-1-yl] prop-2-enoate is sourced from PubChem (CID 118881544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).