1,7-di(nonyl)naphthalene

C28H44 — CID 173372724

IUPAC1,7-di(nonyl)naphthalene
SMILESCCCCCCCCCc1ccc2cccc(CCCCCCCCC)c2c1
InChIInChI=1S/C28H44/c1-3-5-7-9-11-13-15-18-25-22-23-27-21-17-20-26(28(27)24-25)19-16-14-12-10-8-6-4-2/h17,20-24H,3-16,18-19H2,1-2H3
InChIKeyPBGQDKBRPBQIBN-UHFFFAOYSA-N
MW380.66 g/mol
LogP9.43
Rot. Bonds16

About 1,7-di(nonyl)naphthalene

1,7-di(nonyl)naphthalene (PubChem CID 173372724) has the molecular formula C28H44 and a molecular weight of 380.66 g/mol. Its IUPAC name is 1,7-di(nonyl)naphthalene.

Molecular Properties

Compound Name1,7-di(nonyl)naphthalene
PubChem CID173372724
Molecular FormulaC28H44
Molecular Weight380.66 g/mol
Exact Mass380.34
IUPAC Name1,7-di(nonyl)naphthalene
SMILESCCCCCCCCCc1ccc2cccc(CCCCCCCCC)c2c1
InChIInChI=1S/C28H44/c1-3-5-7-9-11-13-15-18-25-22-23-27-21-17-20-26(28(27)24-25)19-16-14-12-10-8-6-4-2/h17,20-24H,3-16,18-19H2,1-2H3
InChIKeyPBGQDKBRPBQIBN-UHFFFAOYSA-N
XLogP9.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(7-hexylnaphthalen-1-yl)ethyl]acetamide
CID 140972151
azane;1-hexyl-7-methylnaphthalene
CID 174691158
3-(7-propylnaphthalen-1-yl)propan-1-amine
CID 19086002
1-tetradecylnaphthalene
CID 14402128
1-dodecylpentacene
CID 141370235
lithium;1-hexylanthracene;hydride
CID 174350658
sodium 7-tetradecylnaphthalene-1-sulfonate
CID 101317075
potassium;hydride;1-octylnaphthalene
CID 173443599
2-octylanthracene
CID 23131226
ethane;2-hexylnaphthalene
CID 142191207
8-decylnaphthalene-2-sulfonic acid
CID 101315066
2,7-di(heptadecyl)naphthalene-1-sulfonic acid
CID 101319308

Frequently Asked Questions

What is the IUPAC name of 1,7-di(nonyl)naphthalene?
The IUPAC name of 1,7-di(nonyl)naphthalene (CID 173372724) is 1,7-di(nonyl)naphthalene.
What is the SMILES notation for 1,7-di(nonyl)naphthalene?
The canonical SMILES for 1,7-di(nonyl)naphthalene is CCCCCCCCCc1ccc2cccc(CCCCCCCCC)c2c1.
What is the InChIKey of 1,7-di(nonyl)naphthalene?
The InChIKey is PBGQDKBRPBQIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44/c1-3-5-7-9-11-13-15-18-25-22-23-27-21-17-20-26(28(27)24-25)19-16-14-12-10-8-6-4-2/h17,20-24H,3-16,18-19H2,1-2H3.
What are the key properties of 1,7-di(nonyl)naphthalene?
1,7-di(nonyl)naphthalene has a molecular weight of 380.66 g/mol, XLogP of 9.43, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-di(nonyl)naphthalene is sourced from PubChem (CID 173372724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).