1-dodecyl-2-hexylbenzene

C24H42 — CID 19371073

IUPAC1-dodecyl-2-hexylbenzene
SMILESCCCCCCCCCCCCc1ccccc1CCCCCC
InChIInChI=1S/C24H42/c1-3-5-7-9-10-11-12-13-14-16-20-24-22-18-17-21-23(24)19-15-8-6-4-2/h17-18,21-22H,3-16,19-20H2,1-2H3
InChIKeyVOBUDMNPKBHJHC-UHFFFAOYSA-N
MW330.60 g/mol
LogP8.27
Rot. Bonds16

About 1-dodecyl-2-hexylbenzene

1-dodecyl-2-hexylbenzene (PubChem CID 19371073) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 1-dodecyl-2-hexylbenzene.

Molecular Properties

Compound Name1-dodecyl-2-hexylbenzene
PubChem CID19371073
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name1-dodecyl-2-hexylbenzene
SMILESCCCCCCCCCCCCc1ccccc1CCCCCC
InChIInChI=1S/C24H42/c1-3-5-7-9-10-11-12-13-14-16-20-24-22-18-17-21-23(24)19-15-8-6-4-2/h17-18,21-22H,3-16,19-20H2,1-2H3
InChIKeyVOBUDMNPKBHJHC-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 58.27
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-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1,2-dihexylbenzene;hydrate
CID 172833093
1-ethyl-2-henicosylbenzene
CID 141174443
1,2-didecylbenzene;phosphonous acid
CID 70526437
carbonic acid;1,2-dihexylbenzene
CID 174444225
1-(chloromethyl)-2-decylbenzene
CID 14385709
(2-octylphenyl)methanol
CID 19826681
1-(2-fluoroethyl)-2-hexylbenzene
CID 141319097
carbonic acid;1,2-dioctylbenzene
CID 174715227

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2-hexylbenzene?
The IUPAC name of 1-dodecyl-2-hexylbenzene (CID 19371073) is 1-dodecyl-2-hexylbenzene.
What is the SMILES notation for 1-dodecyl-2-hexylbenzene?
The canonical SMILES for 1-dodecyl-2-hexylbenzene is CCCCCCCCCCCCc1ccccc1CCCCCC.
What is the InChIKey of 1-dodecyl-2-hexylbenzene?
The InChIKey is VOBUDMNPKBHJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-3-5-7-9-10-11-12-13-14-16-20-24-22-18-17-21-23(24)19-15-8-6-4-2/h17-18,21-22H,3-16,19-20H2,1-2H3.
What are the key properties of 1-dodecyl-2-hexylbenzene?
1-dodecyl-2-hexylbenzene has a molecular weight of 330.60 g/mol, XLogP of 8.27, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-hexylbenzene is sourced from PubChem (CID 19371073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).