1,2-didecylnaphthalene

C30H48 — CID 22410831

IUPAC1,2-didecylnaphthalene
SMILESCCCCCCCCCCc1ccc2ccccc2c1CCCCCCCCCC
InChIInChI=1S/C30H48/c1-3-5-7-9-11-13-15-17-21-27-25-26-28-22-19-20-24-30(28)29(27)23-18-16-14-12-10-8-6-4-2/h19-20,22,24-26H,3-18,21,23H2,1-2H3
InChIKeyGIVMKUUIXYEXLH-UHFFFAOYSA-N
MW408.71 g/mol
LogP10.21
Rot. Bonds18

About 1,2-didecylnaphthalene

1,2-didecylnaphthalene (PubChem CID 22410831) has the molecular formula C30H48 and a molecular weight of 408.71 g/mol. Its IUPAC name is 1,2-didecylnaphthalene.

Molecular Properties

Compound Name1,2-didecylnaphthalene
PubChem CID22410831
Molecular FormulaC30H48
Molecular Weight408.71 g/mol
Exact Mass408.38
IUPAC Name1,2-didecylnaphthalene
SMILESCCCCCCCCCCc1ccc2ccccc2c1CCCCCCCCCC
InChIInChI=1S/C30H48/c1-3-5-7-9-11-13-15-17-21-27-25-26-28-22-19-20-24-30(28)29(27)23-18-16-14-12-10-8-6-4-2/h19-20,22,24-26H,3-18,21,23H2,1-2H3
InChIKeyGIVMKUUIXYEXLH-UHFFFAOYSA-N
XLogP10.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.71
LogP ≤ 510.21
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

1,2-di(icosyl)naphthalene
CID 90782201
CID 66933436
CID 66933436
CID 162312155
CID 162312155
2-hexyl-1-propylnaphthalene
CID 173300538
2-pentyl-1-propylnaphthalene
CID 173391876
1,2-dibutylnaphthalene;naphthalene
CID 157292740
1,2-di(pentadecyl)naphthalene;sulfuric acid
CID 172768972
1-ethyl-2-pentylnaphthalene
CID 173391903
(2-pentylnaphthalen-1-yl)methanamine
CID 57296972
2-decyl-1-methylnaphthalene
CID 154261310
1,2,3-trioctylnaphthalene
CID 20513034
3,4,9,10-tetradodecylpicene
CID 58426518

Frequently Asked Questions

What is the IUPAC name of 1,2-didecylnaphthalene?
The IUPAC name of 1,2-didecylnaphthalene (CID 22410831) is 1,2-didecylnaphthalene.
What is the SMILES notation for 1,2-didecylnaphthalene?
The canonical SMILES for 1,2-didecylnaphthalene is CCCCCCCCCCc1ccc2ccccc2c1CCCCCCCCCC.
What is the InChIKey of 1,2-didecylnaphthalene?
The InChIKey is GIVMKUUIXYEXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48/c1-3-5-7-9-11-13-15-17-21-27-25-26-28-22-19-20-24-30(28)29(27)23-18-16-14-12-10-8-6-4-2/h19-20,22,24-26H,3-18,21,23H2,1-2H3.
What are the key properties of 1,2-didecylnaphthalene?
1,2-didecylnaphthalene has a molecular weight of 408.71 g/mol, XLogP of 10.21, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-didecylnaphthalene is sourced from PubChem (CID 22410831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).