1,4-didodecoxynaphthalene

C34H56O2 — CID 21304164

IUPAC1,4-didodecoxynaphthalene
SMILESCCCCCCCCCCCCOc1ccc(OCCCCCCCCCCCC)c2ccccc12
InChIInChI=1S/C34H56O2/c1-3-5-7-9-11-13-15-17-19-23-29-35-33-27-28-34(32-26-22-21-25-31(32)33)36-30-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-28H,3-20,23-24,29-30H2,1-2H3
InChIKeyPLOXOPHCSDIRMA-UHFFFAOYSA-N
MW496.82 g/mol
LogP11.44
Rot. Bonds24

About 1,4-didodecoxynaphthalene

1,4-didodecoxynaphthalene (PubChem CID 21304164) has the molecular formula C34H56O2 and a molecular weight of 496.82 g/mol. Its IUPAC name is 1,4-didodecoxynaphthalene.

Molecular Properties

Compound Name1,4-didodecoxynaphthalene
PubChem CID21304164
Molecular FormulaC34H56O2
Molecular Weight496.82 g/mol
Exact Mass496.43
IUPAC Name1,4-didodecoxynaphthalene
SMILESCCCCCCCCCCCCOc1ccc(OCCCCCCCCCCCC)c2ccccc12
InChIInChI=1S/C34H56O2/c1-3-5-7-9-11-13-15-17-19-23-29-35-33-27-28-34(32-26-22-21-25-31(32)33)36-30-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-28H,3-20,23-24,29-30H2,1-2H3
InChIKeyPLOXOPHCSDIRMA-UHFFFAOYSA-N
XLogP11.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.82
LogP ≤ 511.44
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-dibutoxynaphthalene
CID 22016411
1-(bromomethyl)-4-dodecoxynaphthalene
CID 57081805
1,4,5,8-tetrahexoxyanthracene
CID 101142141
1-decoxyphenanthrene
CID 140993229
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
4-dodecoxynaphthalene-1-sulfonamide
CID 54239481
9,10-dioctoxyanthracene
CID 21304201
5-pentoxynaphthalen-1-ol
CID 67823980
1-bromo-2-nonoxynaphthalene
CID 63529773
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719
N-methyl-4-pentoxynaphthalene-1-sulfonamide
CID 50876527

Frequently Asked Questions

What is the IUPAC name of 1,4-didodecoxynaphthalene?
The IUPAC name of 1,4-didodecoxynaphthalene (CID 21304164) is 1,4-didodecoxynaphthalene.
What is the SMILES notation for 1,4-didodecoxynaphthalene?
The canonical SMILES for 1,4-didodecoxynaphthalene is CCCCCCCCCCCCOc1ccc(OCCCCCCCCCCCC)c2ccccc12.
What is the InChIKey of 1,4-didodecoxynaphthalene?
The InChIKey is PLOXOPHCSDIRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56O2/c1-3-5-7-9-11-13-15-17-19-23-29-35-33-27-28-34(32-26-22-21-25-31(32)33)36-30-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-28H,3-20,23-24,29-30H2,1-2H3.
What are the key properties of 1,4-didodecoxynaphthalene?
1,4-didodecoxynaphthalene has a molecular weight of 496.82 g/mol, XLogP of 11.44, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-didodecoxynaphthalene is sourced from PubChem (CID 21304164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).