1,3-dimethyl-2-pentan-3-ylcyclopentane

C12H24 — CID 123708942

IUPAC1,3-dimethyl-2-pentan-3-ylcyclopentane
SMILESCCC(CC)C1C(C)CCC1C
InChIInChI=1S/C12H24/c1-5-11(6-2)12-9(3)7-8-10(12)4/h9-12H,5-8H2,1-4H3
InChIKeyXBNIPECPYHXKPN-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds3

About 1,3-dimethyl-2-pentan-3-ylcyclopentane

1,3-dimethyl-2-pentan-3-ylcyclopentane (PubChem CID 123708942) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,3-dimethyl-2-pentan-3-ylcyclopentane.

Molecular Properties

Compound Name1,3-dimethyl-2-pentan-3-ylcyclopentane
PubChem CID123708942
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,3-dimethyl-2-pentan-3-ylcyclopentane
SMILESCCC(CC)C1C(C)CCC1C
InChIInChI=1S/C12H24/c1-5-11(6-2)12-9(3)7-8-10(12)4/h9-12H,5-8H2,1-4H3
InChIKeyXBNIPECPYHXKPN-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-pentan-3-ylcyclopentane?
The IUPAC name of 1,3-dimethyl-2-pentan-3-ylcyclopentane (CID 123708942) is 1,3-dimethyl-2-pentan-3-ylcyclopentane.
What is the SMILES notation for 1,3-dimethyl-2-pentan-3-ylcyclopentane?
The canonical SMILES for 1,3-dimethyl-2-pentan-3-ylcyclopentane is CCC(CC)C1C(C)CCC1C.
What is the InChIKey of 1,3-dimethyl-2-pentan-3-ylcyclopentane?
The InChIKey is XBNIPECPYHXKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-11(6-2)12-9(3)7-8-10(12)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 1,3-dimethyl-2-pentan-3-ylcyclopentane?
1,3-dimethyl-2-pentan-3-ylcyclopentane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-pentan-3-ylcyclopentane is sourced from PubChem (CID 123708942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).