1,1,2-tris-decylcyclopentane

C35H70 — CID 18757667

IUPAC1,1,2-tris-decylcyclopentane
SMILESCCCCCCCCCCC1CCCC1(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C35H70/c1-4-7-10-13-16-19-22-25-29-34-30-28-33-35(34,31-26-23-20-17-14-11-8-5-2)32-27-24-21-18-15-12-9-6-3/h34H,4-33H2,1-3H3
InChIKeyWLQYBRRYTFKFIN-UHFFFAOYSA-N
MW490.95 g/mol
LogP13.37
Rot. Bonds27

About 1,1,2-tris-decylcyclopentane

1,1,2-tris-decylcyclopentane (PubChem CID 18757667) has the molecular formula C35H70 and a molecular weight of 490.95 g/mol. Its IUPAC name is 1,1,2-tris-decylcyclopentane.

Molecular Properties

Compound Name1,1,2-tris-decylcyclopentane
PubChem CID18757667
Molecular FormulaC35H70
Molecular Weight490.95 g/mol
Exact Mass490.55
IUPAC Name1,1,2-tris-decylcyclopentane
SMILESCCCCCCCCCCC1CCCC1(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C35H70/c1-4-7-10-13-16-19-22-25-29-34-30-28-33-35(34,31-26-23-20-17-14-11-8-5-2)32-27-24-21-18-15-12-9-6-3/h34H,4-33H2,1-3H3
InChIKeyWLQYBRRYTFKFIN-UHFFFAOYSA-N
XLogP13.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.95
LogP ≤ 513.37
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 1,1,2-tris-decylcyclopentane?
The IUPAC name of 1,1,2-tris-decylcyclopentane (CID 18757667) is 1,1,2-tris-decylcyclopentane.
What is the SMILES notation for 1,1,2-tris-decylcyclopentane?
The canonical SMILES for 1,1,2-tris-decylcyclopentane is CCCCCCCCCCC1CCCC1(CCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 1,1,2-tris-decylcyclopentane?
The InChIKey is WLQYBRRYTFKFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H70/c1-4-7-10-13-16-19-22-25-29-34-30-28-33-35(34,31-26-23-20-17-14-11-8-5-2)32-27-24-21-18-15-12-9-6-3/h34H,4-33H2,1-3H3.
What are the key properties of 1,1,2-tris-decylcyclopentane?
1,1,2-tris-decylcyclopentane has a molecular weight of 490.95 g/mol, XLogP of 13.37, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris-decylcyclopentane is sourced from PubChem (CID 18757667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).