2,3-dimethyl-1,4-di(nonoxy)naphthalene

C30H48O2 — CID 153323309

IUPAC2,3-dimethyl-1,4-di(nonoxy)naphthalene
SMILESCCCCCCCCCOc1c(C)c(C)c(OCCCCCCCCC)c2ccccc12
InChIInChI=1S/C30H48O2/c1-5-7-9-11-13-15-19-23-31-29-25(3)26(4)30(28-22-18-17-21-27(28)29)32-24-20-16-14-12-10-8-6-2/h17-18,21-22H,5-16,19-20,23-24H2,1-4H3
InChIKeyGMJZOMRPVYMYDZ-UHFFFAOYSA-N
MW440.71 g/mol
LogP9.72
Rot. Bonds18

About 2,3-dimethyl-1,4-di(nonoxy)naphthalene

2,3-dimethyl-1,4-di(nonoxy)naphthalene (PubChem CID 153323309) has the molecular formula C30H48O2 and a molecular weight of 440.71 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-di(nonoxy)naphthalene.

Molecular Properties

Compound Name2,3-dimethyl-1,4-di(nonoxy)naphthalene
PubChem CID153323309
Molecular FormulaC30H48O2
Molecular Weight440.71 g/mol
Exact Mass440.37
IUPAC Name2,3-dimethyl-1,4-di(nonoxy)naphthalene
SMILESCCCCCCCCCOc1c(C)c(C)c(OCCCCCCCCC)c2ccccc12
InChIInChI=1S/C30H48O2/c1-5-7-9-11-13-15-19-23-31-29-25(3)26(4)30(28-22-18-17-21-27(28)29)32-24-20-16-14-12-10-8-6-2/h17-18,21-22H,5-16,19-20,23-24H2,1-4H3
InChIKeyGMJZOMRPVYMYDZ-UHFFFAOYSA-N
XLogP9.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.71
LogP ≤ 59.72
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-diheptoxy-2,3-dimethylnaphthalene
CID 153323338
9,10-dioctoxyanthracene
CID 21304201
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719
2,3-dimethyl-9,10-di(nonoxy)anthracene
CID 175900449
9,10-dihexadecoxy-2-methylanthracene
CID 139930329
9,10-dihexoxy-1,4-dihydroanthracene
CID 139881183
9,10-diheptoxy-1,4-dihydroanthracene
CID 153323236
2-decoxy-1,3-dimethylbenzene
CID 83057478
1,4-didodecoxynaphthalene
CID 21304164
1,2,3,4-tetrapentoxytriphenylene
CID 172779931
9,10-bis(3-hexylsulfanylpropoxy)anthracene
CID 139901998
2-chloro-9,10-dioctoxyanthracene
CID 135239618

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-di(nonoxy)naphthalene?
The IUPAC name of 2,3-dimethyl-1,4-di(nonoxy)naphthalene (CID 153323309) is 2,3-dimethyl-1,4-di(nonoxy)naphthalene.
What is the SMILES notation for 2,3-dimethyl-1,4-di(nonoxy)naphthalene?
The canonical SMILES for 2,3-dimethyl-1,4-di(nonoxy)naphthalene is CCCCCCCCCOc1c(C)c(C)c(OCCCCCCCCC)c2ccccc12.
What is the InChIKey of 2,3-dimethyl-1,4-di(nonoxy)naphthalene?
The InChIKey is GMJZOMRPVYMYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48O2/c1-5-7-9-11-13-15-19-23-31-29-25(3)26(4)30(28-22-18-17-21-27(28)29)32-24-20-16-14-12-10-8-6-2/h17-18,21-22H,5-16,19-20,23-24H2,1-4H3.
What are the key properties of 2,3-dimethyl-1,4-di(nonoxy)naphthalene?
2,3-dimethyl-1,4-di(nonoxy)naphthalene has a molecular weight of 440.71 g/mol, XLogP of 9.72, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-di(nonoxy)naphthalene is sourced from PubChem (CID 153323309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).