1,4-dibutoxynaphthalene

C18H24O2 — CID 22016411

IUPAC1,4-dibutoxynaphthalene
SMILESCCCCOc1ccc(OCCCC)c2ccccc12
InChIInChI=1S/C18H24O2/c1-3-5-13-19-17-11-12-18(20-14-6-4-2)16-10-8-7-9-15(16)17/h7-12H,3-6,13-14H2,1-2H3
InChIKeyUKXGGMCMWNJILJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.20
Rot. Bonds8

About 1,4-dibutoxynaphthalene

1,4-dibutoxynaphthalene (PubChem CID 22016411) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1,4-dibutoxynaphthalene.

Molecular Properties

Compound Name1,4-dibutoxynaphthalene
PubChem CID22016411
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name1,4-dibutoxynaphthalene
SMILESCCCCOc1ccc(OCCCC)c2ccccc12
InChIInChI=1S/C18H24O2/c1-3-5-13-19-17-11-12-18(20-14-6-4-2)16-10-8-7-9-15(16)17/h7-12H,3-6,13-14H2,1-2H3
InChIKeyUKXGGMCMWNJILJ-UHFFFAOYSA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.20
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

1,4-didodecoxynaphthalene
CID 21304164
1-butoxynaphthalene
CID 13262700
5-butoxynaphthalen-1-amine
CID 67167958
4-butoxynaphthalene-1-sulfonamide
CID 43342503
2-(4-butoxynaphthalen-1-yl)benzotriazole
CID 59307512
1-(bromomethyl)-4-dodecoxynaphthalene
CID 57081805
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719
1-decoxyphenanthrene
CID 140993229
1-butoxynaphthalene;pentane-1,5-diol
CID 67747662
5-pentoxynaphthalen-1-ol
CID 67823980
4-dodecoxynaphthalene-1-sulfonamide
CID 54239481
1,4,5,8-tetrahexoxyanthracene
CID 101142141

Frequently Asked Questions

What is the IUPAC name of 1,4-dibutoxynaphthalene?
The IUPAC name of 1,4-dibutoxynaphthalene (CID 22016411) is 1,4-dibutoxynaphthalene.
What is the SMILES notation for 1,4-dibutoxynaphthalene?
The canonical SMILES for 1,4-dibutoxynaphthalene is CCCCOc1ccc(OCCCC)c2ccccc12.
What is the InChIKey of 1,4-dibutoxynaphthalene?
The InChIKey is UKXGGMCMWNJILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-3-5-13-19-17-11-12-18(20-14-6-4-2)16-10-8-7-9-15(16)17/h7-12H,3-6,13-14H2,1-2H3.
What are the key properties of 1,4-dibutoxynaphthalene?
1,4-dibutoxynaphthalene has a molecular weight of 272.39 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibutoxynaphthalene is sourced from PubChem (CID 22016411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).