1-cyclopentyloctylcyclopentane

C18H34 — CID 171041140

IUPAC1-cyclopentyloctylcyclopentane
SMILESCCCCCCCC(C1CCCC1)C1CCCC1
InChIInChI=1S/C18H34/c1-2-3-4-5-6-15-18(16-11-7-8-12-16)17-13-9-10-14-17/h16-18H,2-15H2,1H3
InChIKeyLTUVADYVQNHSGF-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.34
Rot. Bonds8

About 1-cyclopentyloctylcyclopentane

1-cyclopentyloctylcyclopentane (PubChem CID 171041140) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1-cyclopentyloctylcyclopentane.

Molecular Properties

Compound Name1-cyclopentyloctylcyclopentane
PubChem CID171041140
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1-cyclopentyloctylcyclopentane
SMILESCCCCCCCC(C1CCCC1)C1CCCC1
InChIInChI=1S/C18H34/c1-2-3-4-5-6-15-18(16-11-7-8-12-16)17-13-9-10-14-17/h16-18H,2-15H2,1H3
InChIKeyLTUVADYVQNHSGF-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.34
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloctylcyclopentane?
The IUPAC name of 1-cyclopentyloctylcyclopentane (CID 171041140) is 1-cyclopentyloctylcyclopentane.
What is the SMILES notation for 1-cyclopentyloctylcyclopentane?
The canonical SMILES for 1-cyclopentyloctylcyclopentane is CCCCCCCC(C1CCCC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyloctylcyclopentane?
The InChIKey is LTUVADYVQNHSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-2-3-4-5-6-15-18(16-11-7-8-12-16)17-13-9-10-14-17/h16-18H,2-15H2,1H3.
What are the key properties of 1-cyclopentyloctylcyclopentane?
1-cyclopentyloctylcyclopentane has a molecular weight of 250.47 g/mol, XLogP of 6.34, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloctylcyclopentane is sourced from PubChem (CID 171041140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).