1,1,2,2-tetrakis(2-ethylhexyl)cyclopentane

C37H74 — CID 22568579

IUPAC1,1,2,2-tetrakis(2-ethylhexyl)cyclopentane
SMILESCCCCC(CC)CC1(CC(CC)CCCC)CCCC1(CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/C37H74/c1-9-17-22-32(13-5)28-36(29-33(14-6)23-18-10-2)26-21-27-37(36,30-34(15-7)24-19-11-3)31-35(16-8)25-20-12-4/h32-35H,9-31H2,1-8H3
InChIKeyRPBBSWCXTIAILC-UHFFFAOYSA-N
MW519.00 g/mol
LogP13.57
Rot. Bonds24

About 1,1,2,2-tetrakis(2-ethylhexyl)cyclopentane

1,1,2,2-tetrakis(2-ethylhexyl)cyclopentane (PubChem CID 22568579) has the molecular formula C37H74 and a molecular weight of 519.00 g/mol. Its IUPAC name is 1,1,2,2-tetrakis(2-ethylhexyl)cyclopentane.

Molecular Properties

Compound Name1,1,2,2-tetrakis(2-ethylhexyl)cyclopentane
PubChem CID22568579
Molecular FormulaC37H74
Molecular Weight519.00 g/mol
Exact Mass518.58
IUPAC Name1,1,2,2-tetrakis(2-ethylhexyl)cyclopentane
SMILESCCCCC(CC)CC1(CC(CC)CCCC)CCCC1(CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/C37H74/c1-9-17-22-32(13-5)28-36(29-33(14-6)23-18-10-2)26-21-27-37(36,30-34(15-7)24-19-11-3)31-35(16-8)25-20-12-4/h32-35H,9-31H2,1-8H3
InChIKeyRPBBSWCXTIAILC-UHFFFAOYSA-N
XLogP13.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.00
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrakis(2-ethylhexyl)cyclopentane?
The IUPAC name of 1,1,2,2-tetrakis(2-ethylhexyl)cyclopentane (CID 22568579) is 1,1,2,2-tetrakis(2-ethylhexyl)cyclopentane.
What is the SMILES notation for 1,1,2,2-tetrakis(2-ethylhexyl)cyclopentane?
The canonical SMILES for 1,1,2,2-tetrakis(2-ethylhexyl)cyclopentane is CCCCC(CC)CC1(CC(CC)CCCC)CCCC1(CC(CC)CCCC)CC(CC)CCCC.
What is the InChIKey of 1,1,2,2-tetrakis(2-ethylhexyl)cyclopentane?
The InChIKey is RPBBSWCXTIAILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H74/c1-9-17-22-32(13-5)28-36(29-33(14-6)23-18-10-2)26-21-27-37(36,30-34(15-7)24-19-11-3)31-35(16-8)25-20-12-4/h32-35H,9-31H2,1-8H3.
What are the key properties of 1,1,2,2-tetrakis(2-ethylhexyl)cyclopentane?
1,1,2,2-tetrakis(2-ethylhexyl)cyclopentane has a molecular weight of 519.00 g/mol, XLogP of 13.57, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrakis(2-ethylhexyl)cyclopentane is sourced from PubChem (CID 22568579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).