2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate

C22H24O8 — CID 70460816

IUPAC2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCCOc1ccc2c(OCCOC(=O)OCC=C)cccc2c1
InChIInChI=1S/C22H24O8/c1-3-10-27-21(23)29-14-12-25-18-8-9-19-17(16-18)6-5-7-20(19)26-13-15-30-22(24)28-11-4-2/h3-9,16H,1-2,10-15H2
InChIKeyNQGRQIJJBPQDKT-UHFFFAOYSA-N
MW416.43 g/mol
LogP4.28
Rot. Bonds12

About 2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate

2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate (PubChem CID 70460816) has the molecular formula C22H24O8 and a molecular weight of 416.43 g/mol. Its IUPAC name is 2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate.

Molecular Properties

Compound Name2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate
PubChem CID70460816
Molecular FormulaC22H24O8
Molecular Weight416.43 g/mol
Exact Mass416.15
IUPAC Name2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCCOc1ccc2c(OCCOC(=O)OCC=C)cccc2c1
InChIInChI=1S/C22H24O8/c1-3-10-27-21(23)29-14-12-25-18-8-9-19-17(16-18)6-5-7-20(19)26-13-15-30-22(24)28-11-4-2/h3-9,16H,1-2,10-15H2
InChIKeyNQGRQIJJBPQDKT-UHFFFAOYSA-N
XLogP4.28
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate 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

bis(2-naphthalen-1-yloxyethyl) carbonate
CID 57035339
1,6-dipentoxynaphthalene
CID 22144299
2-naphthalen-1-yloxyethyl 3-oxopropanoate
CID 23049691
bis(5-ethoxynaphthalen-2-yl) carbonate
CID 68732940
6-hex-5-enoxynaphthalene-1-carboxylic acid
CID 57076344
5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid
CID 138543521
2-naphthalen-1-yloxyethyl acetate
CID 23049663
1-phenylmethoxy-6-[2-[2-[2-[2-(5-phenylmethoxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalene
CID 10794421
2-phenanthren-2-yloxyethyl 2-methylpropanoate
CID 130451688
1-prop-2-enoxyanthracene
CID 141089148
1,1-difluoro-2-[2-(5-hydroxynaphthalen-2-yl)oxyethoxy]-2-oxoethanesulfonic acid
CID 87412488
propyl 5-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]ethynyl]-2-[6-[4-[2-[5-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]ethynyl]-2-propoxycarbonylphenoxy]hexoxy]benzoate
CID 167443087

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate?
The IUPAC name of 2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate (CID 70460816) is 2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate.
What is the SMILES notation for 2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate?
The canonical SMILES for 2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate is C=CCOC(=O)OCCOc1ccc2c(OCCOC(=O)OCC=C)cccc2c1.
What is the InChIKey of 2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate?
The InChIKey is NQGRQIJJBPQDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O8/c1-3-10-27-21(23)29-14-12-25-18-8-9-19-17(16-18)6-5-7-20(19)26-13-15-30-22(24)28-11-4-2/h3-9,16H,1-2,10-15H2.
What are the key properties of 2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate?
2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate has a molecular weight of 416.43 g/mol, XLogP of 4.28, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate is sourced from PubChem (CID 70460816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).