1-decan-2-yl-3-octylbenzene

C24H42 — CID 173491759

IUPAC1-decan-2-yl-3-octylbenzene
SMILESCCCCCCCCc1cccc(C(C)CCCCCCCC)c1
InChIInChI=1S/C24H42/c1-4-6-8-10-12-14-17-22(3)24-20-16-19-23(21-24)18-15-13-11-9-7-5-2/h16,19-22H,4-15,17-18H2,1-3H3
InChIKeyDTLAJFAHQJMYDL-UHFFFAOYSA-N
MW330.60 g/mol
LogP8.44
Rot. Bonds15

About 1-decan-2-yl-3-octylbenzene

1-decan-2-yl-3-octylbenzene (PubChem CID 173491759) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 1-decan-2-yl-3-octylbenzene.

Molecular Properties

Compound Name1-decan-2-yl-3-octylbenzene
PubChem CID173491759
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name1-decan-2-yl-3-octylbenzene
SMILESCCCCCCCCc1cccc(C(C)CCCCCCCC)c1
InChIInChI=1S/C24H42/c1-4-6-8-10-12-14-17-22(3)24-20-16-19-23(21-24)18-15-13-11-9-7-5-2/h16,19-22H,4-15,17-18H2,1-3H3
InChIKeyDTLAJFAHQJMYDL-UHFFFAOYSA-N
XLogP8.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 58.44
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

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1-decan-2-yl-3-ethylbenzene
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1,3-di(tetradecyl)benzene
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1-(9-methyldecyl)-3-(5-pentoxypentyl)benzene
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1-(3-nonylphenyl)butane-1-sulfonic acid
CID 22156432
6-phenylhexan-2-ylbenzene
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CID 151544789
1-butyl-3-(1-phenylethyl)benzene
CID 141315490
1-nonadecyl-3-[2-[2-(3-nonadecylphenyl)ethyl]tricosyl]benzene
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4-octan-2-ylphenol;4-octylphenol
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CID 177146416

Frequently Asked Questions

What is the IUPAC name of 1-decan-2-yl-3-octylbenzene?
The IUPAC name of 1-decan-2-yl-3-octylbenzene (CID 173491759) is 1-decan-2-yl-3-octylbenzene.
What is the SMILES notation for 1-decan-2-yl-3-octylbenzene?
The canonical SMILES for 1-decan-2-yl-3-octylbenzene is CCCCCCCCc1cccc(C(C)CCCCCCCC)c1.
What is the InChIKey of 1-decan-2-yl-3-octylbenzene?
The InChIKey is DTLAJFAHQJMYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-4-6-8-10-12-14-17-22(3)24-20-16-19-23(21-24)18-15-13-11-9-7-5-2/h16,19-22H,4-15,17-18H2,1-3H3.
What are the key properties of 1-decan-2-yl-3-octylbenzene?
1-decan-2-yl-3-octylbenzene has a molecular weight of 330.60 g/mol, XLogP of 8.44, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decan-2-yl-3-octylbenzene is sourced from PubChem (CID 173491759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).