5-pentyl-1,2-dipropylcyclopenta-1,3-diene

C16H28 — CID 174262023

IUPAC5-pentyl-1,2-dipropylcyclopenta-1,3-diene
SMILESCCCCCC1C=CC(CCC)=C1CCC
InChIInChI=1S/C16H28/c1-4-7-8-11-15-13-12-14(9-5-2)16(15)10-6-3/h12-13,15H,4-11H2,1-3H3
InChIKeyJKGJGTKUPQYLBQ-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.65
Rot. Bonds8

About 5-pentyl-1,2-dipropylcyclopenta-1,3-diene

5-pentyl-1,2-dipropylcyclopenta-1,3-diene (PubChem CID 174262023) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 5-pentyl-1,2-dipropylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-pentyl-1,2-dipropylcyclopenta-1,3-diene
PubChem CID174262023
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name5-pentyl-1,2-dipropylcyclopenta-1,3-diene
SMILESCCCCCC1C=CC(CCC)=C1CCC
InChIInChI=1S/C16H28/c1-4-7-8-11-15-13-12-14(9-5-2)16(15)10-6-3/h12-13,15H,4-11H2,1-3H3
InChIKeyJKGJGTKUPQYLBQ-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.65
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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1,5-dioctylcyclopenta-1,3-diene
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2,2-diethyl-5-pentyl-3,5-dihydro-1H-s-indacene
CID 156638156
2,2-diethyl-5-pentyl-3,5-dihydro-1H-s-indacene;hafnium
CID 175279183
1-pentyl-1H-phenalene
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2-pentylcyclopent-3-en-1-one
CID 13168677
3-tridecyl-3H-furan-2-one
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3-methyl-7-pentylcyclohepta-1,3,5-triene
CID 142802346
1,1,3,3,5,5,7,7-octaethyl-2,6-dipentyl-2,6-dihydro-[1,3]disilolo[4,5-f][1,3]benzodisilole
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butyl-(2,3-diethylcyclopenta-2,4-dien-1-yl)phosphane
CID 175870504

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-1,2-dipropylcyclopenta-1,3-diene?
The IUPAC name of 5-pentyl-1,2-dipropylcyclopenta-1,3-diene (CID 174262023) is 5-pentyl-1,2-dipropylcyclopenta-1,3-diene.
What is the SMILES notation for 5-pentyl-1,2-dipropylcyclopenta-1,3-diene?
The canonical SMILES for 5-pentyl-1,2-dipropylcyclopenta-1,3-diene is CCCCCC1C=CC(CCC)=C1CCC.
What is the InChIKey of 5-pentyl-1,2-dipropylcyclopenta-1,3-diene?
The InChIKey is JKGJGTKUPQYLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-4-7-8-11-15-13-12-14(9-5-2)16(15)10-6-3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 5-pentyl-1,2-dipropylcyclopenta-1,3-diene?
5-pentyl-1,2-dipropylcyclopenta-1,3-diene has a molecular weight of 220.40 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-1,2-dipropylcyclopenta-1,3-diene is sourced from PubChem (CID 174262023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).