1-octyl-2-pentylcyclopentane

C18H36 — CID 170668279

IUPAC1-octyl-2-pentylcyclopentane
SMILESCCCCCCCCC1CCCC1CCCCC
InChIInChI=1S/C18H36/c1-3-5-7-8-9-11-14-18-16-12-15-17(18)13-10-6-4-2/h17-18H,3-16H2,1-2H3
InChIKeyBNQUZBIMMOPOPM-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.73
Rot. Bonds11

About 1-octyl-2-pentylcyclopentane

1-octyl-2-pentylcyclopentane (PubChem CID 170668279) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 1-octyl-2-pentylcyclopentane.

Molecular Properties

Compound Name1-octyl-2-pentylcyclopentane
PubChem CID170668279
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name1-octyl-2-pentylcyclopentane
SMILESCCCCCCCCC1CCCC1CCCCC
InChIInChI=1S/C18H36/c1-3-5-7-8-9-11-14-18-16-12-15-17(18)13-10-6-4-2/h17-18H,3-16H2,1-2H3
InChIKeyBNQUZBIMMOPOPM-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.73
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

1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
trans-(1S,2S)-1-ethyl-2-heptylcyclopentane
CID 175197427
1-pentyl-2-propylcyclopentane
CID 549948
trans-(1S,2R)-2-octylcyclopentan-1-amine
CID 97292499
formic acid;1-heptyl-2-octylcyclopentane;methane
CID 158445851
trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
N-[(2-octylcyclopentyl)methyl]cyclopropanamine
CID 81033237
N-[(2-decylcyclopentyl)methyl]propan-1-amine
CID 81035001
3-(2-octylcyclopentyl)propanoic acid
CID 57357948

Frequently Asked Questions

What is the IUPAC name of 1-octyl-2-pentylcyclopentane?
The IUPAC name of 1-octyl-2-pentylcyclopentane (CID 170668279) is 1-octyl-2-pentylcyclopentane.
What is the SMILES notation for 1-octyl-2-pentylcyclopentane?
The canonical SMILES for 1-octyl-2-pentylcyclopentane is CCCCCCCCC1CCCC1CCCCC.
What is the InChIKey of 1-octyl-2-pentylcyclopentane?
The InChIKey is BNQUZBIMMOPOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-3-5-7-8-9-11-14-18-16-12-15-17(18)13-10-6-4-2/h17-18H,3-16H2,1-2H3.
What are the key properties of 1-octyl-2-pentylcyclopentane?
1-octyl-2-pentylcyclopentane has a molecular weight of 252.49 g/mol, XLogP of 6.73, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-2-pentylcyclopentane is sourced from PubChem (CID 170668279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).