1-(2,2-diethoxyethyl)naphthalene

C16H20O2 — CID 146004800

IUPAC1-(2,2-diethoxyethyl)naphthalene
SMILESCCOC(Cc1cccc2ccccc12)OCC
InChIInChI=1S/C16H20O2/c1-3-17-16(18-4-2)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11,16H,3-4,12H2,1-2H3
InChIKeyNCPFASHJFPXPLQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.78
Rot. Bonds6

About 1-(2,2-diethoxyethyl)naphthalene

1-(2,2-diethoxyethyl)naphthalene (PubChem CID 146004800) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)naphthalene.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)naphthalene
PubChem CID146004800
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-(2,2-diethoxyethyl)naphthalene
SMILESCCOC(Cc1cccc2ccccc12)OCC
InChIInChI=1S/C16H20O2/c1-3-17-16(18-4-2)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11,16H,3-4,12H2,1-2H3
InChIKeyNCPFASHJFPXPLQ-UHFFFAOYSA-N
XLogP3.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
1,1-diethoxy-4-naphthalen-1-yl-3-nitrobutan-2-ol
CID 19995521
1-(2-chloropropyl)naphthalene
CID 12809422
3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine
CID 62678617
(1-cyclopropyl-1-ethoxy-3-naphthalen-1-ylpropan-2-yl)hydrazine
CID 105273185
ethyl (2S,3S)-3-hydroxy-2-(hydroxymethyl)-4-naphthalen-1-ylbutanoate
CID 10334298
3-(2,2-diethoxyethyl)-1-methoxyindole
CID 57163335
6-(2,2-diethoxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 21409389
1-[2-(chloromethyl)butyl]naphthalene
CID 66034781
azane;1-ethylnaphthalene
CID 19048185
(2S)-3-naphthalen-1-yl-2-propoxypropanoic acid
CID 100531857
1-(2,2-dimethylpropyl)naphthalene;methane
CID 145304916

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)naphthalene?
The IUPAC name of 1-(2,2-diethoxyethyl)naphthalene (CID 146004800) is 1-(2,2-diethoxyethyl)naphthalene.
What is the SMILES notation for 1-(2,2-diethoxyethyl)naphthalene?
The canonical SMILES for 1-(2,2-diethoxyethyl)naphthalene is CCOC(Cc1cccc2ccccc12)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)naphthalene?
The InChIKey is NCPFASHJFPXPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-3-17-16(18-4-2)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11,16H,3-4,12H2,1-2H3.
What are the key properties of 1-(2,2-diethoxyethyl)naphthalene?
1-(2,2-diethoxyethyl)naphthalene has a molecular weight of 244.33 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)naphthalene is sourced from PubChem (CID 146004800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).