1-ethyl-3-pentyl-2-propylbenzene

C16H26 — CID 173025863

IUPAC1-ethyl-3-pentyl-2-propylbenzene
SMILESCCCCCc1cccc(CC)c1CCC
InChIInChI=1S/C16H26/c1-4-7-8-11-15-13-9-12-14(6-3)16(15)10-5-2/h9,12-13H,4-8,10-11H2,1-3H3
InChIKeyMXIUESWQDGJEFF-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.93
Rot. Bonds7

About 1-ethyl-3-pentyl-2-propylbenzene

1-ethyl-3-pentyl-2-propylbenzene (PubChem CID 173025863) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-ethyl-3-pentyl-2-propylbenzene.

Molecular Properties

Compound Name1-ethyl-3-pentyl-2-propylbenzene
PubChem CID173025863
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-ethyl-3-pentyl-2-propylbenzene
SMILESCCCCCc1cccc(CC)c1CCC
InChIInChI=1S/C16H26/c1-4-7-8-11-15-13-9-12-14(6-3)16(15)10-5-2/h9,12-13H,4-8,10-11H2,1-3H3
InChIKeyMXIUESWQDGJEFF-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.93
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-ethyl-2,3-dihexadecylbenzene
CID 154356590
2-propyl-1,3-di(tricosyl)benzene
CID 90723374
1,3-dioctyl-2-propylbenzene
CID 90707443
1-dodecyl-2-pentyl-3-propylbenzene
CID 91255551
1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
2-butyl-1-octyl-3-propylbenzene
CID 141216645
1,2-dipentylbenzene;1,2,3-tripentylbenzene
CID 161479121
1,2-dibutyl-3-dodecylbenzene
CID 91050964
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
sulfuric acid;1,2,3-trihexadecylbenzene
CID 172861060
sulfuric acid;1,2,3-trioctylbenzene
CID 172814095

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-pentyl-2-propylbenzene?
The IUPAC name of 1-ethyl-3-pentyl-2-propylbenzene (CID 173025863) is 1-ethyl-3-pentyl-2-propylbenzene.
What is the SMILES notation for 1-ethyl-3-pentyl-2-propylbenzene?
The canonical SMILES for 1-ethyl-3-pentyl-2-propylbenzene is CCCCCc1cccc(CC)c1CCC.
What is the InChIKey of 1-ethyl-3-pentyl-2-propylbenzene?
The InChIKey is MXIUESWQDGJEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-4-7-8-11-15-13-9-12-14(6-3)16(15)10-5-2/h9,12-13H,4-8,10-11H2,1-3H3.
What are the key properties of 1-ethyl-3-pentyl-2-propylbenzene?
1-ethyl-3-pentyl-2-propylbenzene has a molecular weight of 218.38 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-pentyl-2-propylbenzene is sourced from PubChem (CID 173025863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).