1-nonyl-2-pentylbenzene

C20H34 — CID 54050070

IUPAC1-nonyl-2-pentylbenzene
SMILESCCCCCCCCCc1ccccc1CCCCC
InChIInChI=1S/C20H34/c1-3-5-7-8-9-10-12-16-20-18-14-13-17-19(20)15-11-6-4-2/h13-14,17-18H,3-12,15-16H2,1-2H3
InChIKeyOPDYCMAJNGAXDF-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.71
Rot. Bonds12

About 1-nonyl-2-pentylbenzene

1-nonyl-2-pentylbenzene (PubChem CID 54050070) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 1-nonyl-2-pentylbenzene.

Molecular Properties

Compound Name1-nonyl-2-pentylbenzene
PubChem CID54050070
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name1-nonyl-2-pentylbenzene
SMILESCCCCCCCCCc1ccccc1CCCCC
InChIInChI=1S/C20H34/c1-3-5-7-8-9-10-12-16-20-18-14-13-17-19(20)15-11-6-4-2/h13-14,17-18H,3-12,15-16H2,1-2H3
InChIKeyOPDYCMAJNGAXDF-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.71
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-dodecyl-2-hexylbenzene
CID 19371073
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-heptylphenyl)methanamine
CID 57355618
(2-octylphenyl)methanol
CID 19826681
1-(2-fluoroethyl)-2-hexylbenzene
CID 141319097

Frequently Asked Questions

What is the IUPAC name of 1-nonyl-2-pentylbenzene?
The IUPAC name of 1-nonyl-2-pentylbenzene (CID 54050070) is 1-nonyl-2-pentylbenzene.
What is the SMILES notation for 1-nonyl-2-pentylbenzene?
The canonical SMILES for 1-nonyl-2-pentylbenzene is CCCCCCCCCc1ccccc1CCCCC.
What is the InChIKey of 1-nonyl-2-pentylbenzene?
The InChIKey is OPDYCMAJNGAXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-3-5-7-8-9-10-12-16-20-18-14-13-17-19(20)15-11-6-4-2/h13-14,17-18H,3-12,15-16H2,1-2H3.
What are the key properties of 1-nonyl-2-pentylbenzene?
1-nonyl-2-pentylbenzene has a molecular weight of 274.49 g/mol, XLogP of 6.71, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-2-pentylbenzene is sourced from PubChem (CID 54050070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).