1,2,3-trimethyl-1-(2,3,5-trimethylcyclopentyl)cyclopentane

C16H30 — CID 123679159

IUPAC1,2,3-trimethyl-1-(2,3,5-trimethylcyclopentyl)cyclopentane
SMILESCC1CC(C)C(C2(C)CCC(C)C2C)C1C
InChIInChI=1S/C16H30/c1-10-7-8-16(6,14(10)5)15-12(3)9-11(2)13(15)4/h10-15H,7-9H2,1-6H3
InChIKeyPJBVHODMISVZMG-UHFFFAOYSA-N
MW222.42 g/mol
LogP4.99
Rot. Bonds1

About 1,2,3-trimethyl-1-(2,3,5-trimethylcyclopentyl)cyclopentane

1,2,3-trimethyl-1-(2,3,5-trimethylcyclopentyl)cyclopentane (PubChem CID 123679159) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1,2,3-trimethyl-1-(2,3,5-trimethylcyclopentyl)cyclopentane.

Molecular Properties

Compound Name1,2,3-trimethyl-1-(2,3,5-trimethylcyclopentyl)cyclopentane
PubChem CID123679159
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1,2,3-trimethyl-1-(2,3,5-trimethylcyclopentyl)cyclopentane
SMILESCC1CC(C)C(C2(C)CCC(C)C2C)C1C
InChIInChI=1S/C16H30/c1-10-7-8-16(6,14(10)5)15-12(3)9-11(2)13(15)4/h10-15H,7-9H2,1-6H3
InChIKeyPJBVHODMISVZMG-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.42
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-1-(2,3,5-trimethylcyclopentyl)cyclopentane?
The IUPAC name of 1,2,3-trimethyl-1-(2,3,5-trimethylcyclopentyl)cyclopentane (CID 123679159) is 1,2,3-trimethyl-1-(2,3,5-trimethylcyclopentyl)cyclopentane.
What is the SMILES notation for 1,2,3-trimethyl-1-(2,3,5-trimethylcyclopentyl)cyclopentane?
The canonical SMILES for 1,2,3-trimethyl-1-(2,3,5-trimethylcyclopentyl)cyclopentane is CC1CC(C)C(C2(C)CCC(C)C2C)C1C.
What is the InChIKey of 1,2,3-trimethyl-1-(2,3,5-trimethylcyclopentyl)cyclopentane?
The InChIKey is PJBVHODMISVZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-10-7-8-16(6,14(10)5)15-12(3)9-11(2)13(15)4/h10-15H,7-9H2,1-6H3.
What are the key properties of 1,2,3-trimethyl-1-(2,3,5-trimethylcyclopentyl)cyclopentane?
1,2,3-trimethyl-1-(2,3,5-trimethylcyclopentyl)cyclopentane has a molecular weight of 222.42 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-1-(2,3,5-trimethylcyclopentyl)cyclopentane is sourced from PubChem (CID 123679159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).