1,3,4-trimethyl-1-(3-methylbutan-2-yl)cyclopentane

C13H26 — CID 123227883

IUPAC1,3,4-trimethyl-1-(3-methylbutan-2-yl)cyclopentane
SMILESCC(C)C(C)C1(C)CC(C)C(C)C1
InChIInChI=1S/C13H26/c1-9(2)12(5)13(6)7-10(3)11(4)8-13/h9-12H,7-8H2,1-6H3
InChIKeyUOLQTCCUYROWCL-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.35
Rot. Bonds2

About 1,3,4-trimethyl-1-(3-methylbutan-2-yl)cyclopentane

1,3,4-trimethyl-1-(3-methylbutan-2-yl)cyclopentane (PubChem CID 123227883) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,3,4-trimethyl-1-(3-methylbutan-2-yl)cyclopentane.

Molecular Properties

Compound Name1,3,4-trimethyl-1-(3-methylbutan-2-yl)cyclopentane
PubChem CID123227883
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,3,4-trimethyl-1-(3-methylbutan-2-yl)cyclopentane
SMILESCC(C)C(C)C1(C)CC(C)C(C)C1
InChIInChI=1S/C13H26/c1-9(2)12(5)13(6)7-10(3)11(4)8-13/h9-12H,7-8H2,1-6H3
InChIKeyUOLQTCCUYROWCL-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-1-(3-methylbutan-2-yl)cyclopentane?
The IUPAC name of 1,3,4-trimethyl-1-(3-methylbutan-2-yl)cyclopentane (CID 123227883) is 1,3,4-trimethyl-1-(3-methylbutan-2-yl)cyclopentane.
What is the SMILES notation for 1,3,4-trimethyl-1-(3-methylbutan-2-yl)cyclopentane?
The canonical SMILES for 1,3,4-trimethyl-1-(3-methylbutan-2-yl)cyclopentane is CC(C)C(C)C1(C)CC(C)C(C)C1.
What is the InChIKey of 1,3,4-trimethyl-1-(3-methylbutan-2-yl)cyclopentane?
The InChIKey is UOLQTCCUYROWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-9(2)12(5)13(6)7-10(3)11(4)8-13/h9-12H,7-8H2,1-6H3.
What are the key properties of 1,3,4-trimethyl-1-(3-methylbutan-2-yl)cyclopentane?
1,3,4-trimethyl-1-(3-methylbutan-2-yl)cyclopentane has a molecular weight of 182.35 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-1-(3-methylbutan-2-yl)cyclopentane is sourced from PubChem (CID 123227883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).