2-[2,2-dimethyl-1-(2,2,3-trimethylbutyl)cyclopropyl]-1,3-dimethylcyclopentane

C19H36 — CID 123589793

IUPAC2-[2,2-dimethyl-1-(2,2,3-trimethylbutyl)cyclopropyl]-1,3-dimethylcyclopentane
SMILESCC1CCC(C)C1C1(CC(C)(C)C(C)C)CC1(C)C
InChIInChI=1S/C19H36/c1-13(2)17(5,6)11-19(12-18(19,7)8)16-14(3)9-10-15(16)4/h13-16H,9-12H2,1-8H3
InChIKeyOFSSVQLIYDQLPV-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.16
Rot. Bonds4

About 2-[2,2-dimethyl-1-(2,2,3-trimethylbutyl)cyclopropyl]-1,3-dimethylcyclopentane

2-[2,2-dimethyl-1-(2,2,3-trimethylbutyl)cyclopropyl]-1,3-dimethylcyclopentane (PubChem CID 123589793) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 2-[2,2-dimethyl-1-(2,2,3-trimethylbutyl)cyclopropyl]-1,3-dimethylcyclopentane.

Molecular Properties

Compound Name2-[2,2-dimethyl-1-(2,2,3-trimethylbutyl)cyclopropyl]-1,3-dimethylcyclopentane
PubChem CID123589793
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name2-[2,2-dimethyl-1-(2,2,3-trimethylbutyl)cyclopropyl]-1,3-dimethylcyclopentane
SMILESCC1CCC(C)C1C1(CC(C)(C)C(C)C)CC1(C)C
InChIInChI=1S/C19H36/c1-13(2)17(5,6)11-19(12-18(19,7)8)16-14(3)9-10-15(16)4/h13-16H,9-12H2,1-8H3
InChIKeyOFSSVQLIYDQLPV-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-1-(2,2,3-trimethylbutyl)cyclopropyl]-1,3-dimethylcyclopentane?
The IUPAC name of 2-[2,2-dimethyl-1-(2,2,3-trimethylbutyl)cyclopropyl]-1,3-dimethylcyclopentane (CID 123589793) is 2-[2,2-dimethyl-1-(2,2,3-trimethylbutyl)cyclopropyl]-1,3-dimethylcyclopentane.
What is the SMILES notation for 2-[2,2-dimethyl-1-(2,2,3-trimethylbutyl)cyclopropyl]-1,3-dimethylcyclopentane?
The canonical SMILES for 2-[2,2-dimethyl-1-(2,2,3-trimethylbutyl)cyclopropyl]-1,3-dimethylcyclopentane is CC1CCC(C)C1C1(CC(C)(C)C(C)C)CC1(C)C.
What is the InChIKey of 2-[2,2-dimethyl-1-(2,2,3-trimethylbutyl)cyclopropyl]-1,3-dimethylcyclopentane?
The InChIKey is OFSSVQLIYDQLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-13(2)17(5,6)11-19(12-18(19,7)8)16-14(3)9-10-15(16)4/h13-16H,9-12H2,1-8H3.
What are the key properties of 2-[2,2-dimethyl-1-(2,2,3-trimethylbutyl)cyclopropyl]-1,3-dimethylcyclopentane?
2-[2,2-dimethyl-1-(2,2,3-trimethylbutyl)cyclopropyl]-1,3-dimethylcyclopentane has a molecular weight of 264.50 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-1-(2,2,3-trimethylbutyl)cyclopropyl]-1,3-dimethylcyclopentane is sourced from PubChem (CID 123589793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).