1,6-dipentoxynaphthalene

C20H28O2 — CID 22144299

IUPAC1,6-dipentoxynaphthalene
SMILESCCCCCOc1ccc2c(OCCCCC)cccc2c1
InChIInChI=1S/C20H28O2/c1-3-5-7-14-21-18-12-13-19-17(16-18)10-9-11-20(19)22-15-8-6-4-2/h9-13,16H,3-8,14-15H2,1-2H3
InChIKeyFBCLEBGYWLKKAY-UHFFFAOYSA-N
MW300.44 g/mol
LogP5.98
Rot. Bonds10

About 1,6-dipentoxynaphthalene

1,6-dipentoxynaphthalene (PubChem CID 22144299) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 1,6-dipentoxynaphthalene.

Molecular Properties

Compound Name1,6-dipentoxynaphthalene
PubChem CID22144299
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name1,6-dipentoxynaphthalene
SMILESCCCCCOc1ccc2c(OCCCCC)cccc2c1
InChIInChI=1S/C20H28O2/c1-3-5-7-14-21-18-12-13-19-17(16-18)10-9-11-20(19)22-15-8-6-4-2/h9-13,16H,3-8,14-15H2,1-2H3
InChIKeyFBCLEBGYWLKKAY-UHFFFAOYSA-N
XLogP5.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-pentoxynaphthalen-1-ol
CID 22144289
5-pentoxynaphthalen-2-ol
CID 22144275
1-nonoxyanthracene
CID 86193569
1-butoxynaphthalene
CID 13262700
5-heptoxynaphthalene-2-carbaldehyde
CID 90037600
1-decoxyphenanthrene
CID 140993229
1-butoxy-6,7-difluoronaphthalene
CID 70812007
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
1-fluoro-2-heptoxy-7-octoxyphenanthrene
CID 21267320
(3R)-3-methyl-1-[4-[(6-octoxynaphthalen-1-yl)oxymethyl]phenyl]pentan-1-one
CID 57266006
2-butoxy-7-fluorophenanthrene
CID 18377931

Frequently Asked Questions

What is the IUPAC name of 1,6-dipentoxynaphthalene?
The IUPAC name of 1,6-dipentoxynaphthalene (CID 22144299) is 1,6-dipentoxynaphthalene.
What is the SMILES notation for 1,6-dipentoxynaphthalene?
The canonical SMILES for 1,6-dipentoxynaphthalene is CCCCCOc1ccc2c(OCCCCC)cccc2c1.
What is the InChIKey of 1,6-dipentoxynaphthalene?
The InChIKey is FBCLEBGYWLKKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2/c1-3-5-7-14-21-18-12-13-19-17(16-18)10-9-11-20(19)22-15-8-6-4-2/h9-13,16H,3-8,14-15H2,1-2H3.
What are the key properties of 1,6-dipentoxynaphthalene?
1,6-dipentoxynaphthalene has a molecular weight of 300.44 g/mol, XLogP of 5.98, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dipentoxynaphthalene is sourced from PubChem (CID 22144299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).