bis(5-ethoxynaphthalen-2-yl) carbonate

C25H22O5 — CID 68732940

IUPACbis(5-ethoxynaphthalen-2-yl) carbonate
SMILESCCOc1cccc2cc(OC(=O)Oc3ccc4c(OCC)cccc4c3)ccc12
InChIInChI=1S/C25H22O5/c1-3-27-23-9-5-7-17-15-19(11-13-21(17)23)29-25(26)30-20-12-14-22-18(16-20)8-6-10-24(22)28-4-2/h5-16H,3-4H2,1-2H3
InChIKeyWKBMAUAEHPRHRF-UHFFFAOYSA-N
MW402.45 g/mol
LogP6.37
Rot. Bonds6

About bis(5-ethoxynaphthalen-2-yl) carbonate

bis(5-ethoxynaphthalen-2-yl) carbonate (PubChem CID 68732940) has the molecular formula C25H22O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is bis(5-ethoxynaphthalen-2-yl) carbonate.

Molecular Properties

Compound Namebis(5-ethoxynaphthalen-2-yl) carbonate
PubChem CID68732940
Molecular FormulaC25H22O5
Molecular Weight402.45 g/mol
Exact Mass402.15
IUPAC Namebis(5-ethoxynaphthalen-2-yl) carbonate
SMILESCCOc1cccc2cc(OC(=O)Oc3ccc4c(OCC)cccc4c3)ccc12
InChIInChI=1S/C25H22O5/c1-3-27-23-9-5-7-17-15-19(11-13-21(17)23)29-25(26)30-20-12-14-22-18(16-20)8-6-10-24(22)28-4-2/h5-16H,3-4H2,1-2H3
InChIKeyWKBMAUAEHPRHRF-UHFFFAOYSA-N
XLogP6.37
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(5-ethoxynaphthalen-2-yl) 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

1,6-diethoxynaphthalene;naphthalene-1,6-diol
CID 162064301
1,7-diethoxynaphthalene
CID 13359547
lithium;1-ethoxynaphthalene;hydride
CID 174613942
1,6-dipentoxynaphthalene
CID 22144299
(6-methoxynaphthalen-1-yl) acetate
CID 11424471
(2,3-diethoxyphenyl) acetate
CID 19833387
methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate
CID 22895779
1-ethoxyphenanthrene
CID 19828992
2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate
CID 70460816
(3-ethoxy-2-propanoyloxyphenyl) propanoate
CID 90031987
1-bromo-6-ethoxynaphthalene
CID 151004603
(2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate
CID 24505759

Frequently Asked Questions

What is the IUPAC name of bis(5-ethoxynaphthalen-2-yl) carbonate?
The IUPAC name of bis(5-ethoxynaphthalen-2-yl) carbonate (CID 68732940) is bis(5-ethoxynaphthalen-2-yl) carbonate.
What is the SMILES notation for bis(5-ethoxynaphthalen-2-yl) carbonate?
The canonical SMILES for bis(5-ethoxynaphthalen-2-yl) carbonate is CCOc1cccc2cc(OC(=O)Oc3ccc4c(OCC)cccc4c3)ccc12.
What is the InChIKey of bis(5-ethoxynaphthalen-2-yl) carbonate?
The InChIKey is WKBMAUAEHPRHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O5/c1-3-27-23-9-5-7-17-15-19(11-13-21(17)23)29-25(26)30-20-12-14-22-18(16-20)8-6-10-24(22)28-4-2/h5-16H,3-4H2,1-2H3.
What are the key properties of bis(5-ethoxynaphthalen-2-yl) carbonate?
bis(5-ethoxynaphthalen-2-yl) carbonate has a molecular weight of 402.45 g/mol, XLogP of 6.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-ethoxynaphthalen-2-yl) carbonate is sourced from PubChem (CID 68732940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).