bis(2-naphthalen-1-yloxyethyl) carbonate

C25H22O5 — CID 57035339

IUPACbis(2-naphthalen-1-yloxyethyl) carbonate
SMILESO=C(OCCOc1cccc2ccccc12)OCCOc1cccc2ccccc12
InChIInChI=1S/C25H22O5/c26-25(29-17-15-27-23-13-5-9-19-7-1-3-11-21(19)23)30-18-16-28-24-14-6-10-20-8-2-4-12-22(20)24/h1-14H,15-18H2
InChIKeyBTKXROODBNPSDL-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.60
Rot. Bonds8

About bis(2-naphthalen-1-yloxyethyl) carbonate

bis(2-naphthalen-1-yloxyethyl) carbonate (PubChem CID 57035339) has the molecular formula C25H22O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is bis(2-naphthalen-1-yloxyethyl) carbonate.

Molecular Properties

Compound Namebis(2-naphthalen-1-yloxyethyl) carbonate
PubChem CID57035339
Molecular FormulaC25H22O5
Molecular Weight402.45 g/mol
Exact Mass402.15
IUPAC Namebis(2-naphthalen-1-yloxyethyl) carbonate
SMILESO=C(OCCOc1cccc2ccccc12)OCCOc1cccc2ccccc12
InChIInChI=1S/C25H22O5/c26-25(29-17-15-27-23-13-5-9-19-7-1-3-11-21(19)23)30-18-16-28-24-14-6-10-20-8-2-4-12-22(20)24/h1-14H,15-18H2
InChIKeyBTKXROODBNPSDL-UHFFFAOYSA-N
XLogP5.60
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-1-yloxyethyl acetate
CID 23049663
2-naphthalen-1-yloxyethyl 3-oxopropanoate
CID 23049691
2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate
CID 70460816
2-naphthalen-1-yloxyethyl octadecanoate
CID 154105287
2-amino-4-naphthalen-1-yloxybutanamide
CID 63040100
(2S)-2-amino-4-naphthalen-1-yloxybutanamide
CID 174561854
2-methyl-5-naphthalen-1-yloxypentanamide
CID 142457720
1-(3-chloropropoxy)naphthalene
CID 12685615
2-naphthalen-1-yloxyethyl 8,8-difluorobicyclo[5.1.0]octane-4-carboxylate
CID 167795034
6-naphthalen-1-yloxyhex-1-en-3-one
CID 134187093
2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate
CID 122611590
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263

Frequently Asked Questions

What is the IUPAC name of bis(2-naphthalen-1-yloxyethyl) carbonate?
The IUPAC name of bis(2-naphthalen-1-yloxyethyl) carbonate (CID 57035339) is bis(2-naphthalen-1-yloxyethyl) carbonate.
What is the SMILES notation for bis(2-naphthalen-1-yloxyethyl) carbonate?
The canonical SMILES for bis(2-naphthalen-1-yloxyethyl) carbonate is O=C(OCCOc1cccc2ccccc12)OCCOc1cccc2ccccc12.
What is the InChIKey of bis(2-naphthalen-1-yloxyethyl) carbonate?
The InChIKey is BTKXROODBNPSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O5/c26-25(29-17-15-27-23-13-5-9-19-7-1-3-11-21(19)23)30-18-16-28-24-14-6-10-20-8-2-4-12-22(20)24/h1-14H,15-18H2.
What are the key properties of bis(2-naphthalen-1-yloxyethyl) carbonate?
bis(2-naphthalen-1-yloxyethyl) carbonate has a molecular weight of 402.45 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-naphthalen-1-yloxyethyl) carbonate is sourced from PubChem (CID 57035339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).