1,2-bis(2-methylpentan-3-yl)cyclopentane

C17H34 — CID 91097416

IUPAC1,2-bis(2-methylpentan-3-yl)cyclopentane
SMILESCCC(C(C)C)C1CCCC1C(CC)C(C)C
InChIInChI=1S/C17H34/c1-7-14(12(3)4)16-10-9-11-17(16)15(8-2)13(5)6/h12-17H,7-11H2,1-6H3
InChIKeyGEIOUKSENQQSGB-UHFFFAOYSA-N
MW238.46 g/mol
LogP5.77
Rot. Bonds6

About 1,2-bis(2-methylpentan-3-yl)cyclopentane

1,2-bis(2-methylpentan-3-yl)cyclopentane (PubChem CID 91097416) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1,2-bis(2-methylpentan-3-yl)cyclopentane.

Molecular Properties

Compound Name1,2-bis(2-methylpentan-3-yl)cyclopentane
PubChem CID91097416
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1,2-bis(2-methylpentan-3-yl)cyclopentane
SMILESCCC(C(C)C)C1CCCC1C(CC)C(C)C
InChIInChI=1S/C17H34/c1-7-14(12(3)4)16-10-9-11-17(16)15(8-2)13(5)6/h12-17H,7-11H2,1-6H3
InChIKeyGEIOUKSENQQSGB-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methylpentan-3-yl)cyclopentane?
The IUPAC name of 1,2-bis(2-methylpentan-3-yl)cyclopentane (CID 91097416) is 1,2-bis(2-methylpentan-3-yl)cyclopentane.
What is the SMILES notation for 1,2-bis(2-methylpentan-3-yl)cyclopentane?
The canonical SMILES for 1,2-bis(2-methylpentan-3-yl)cyclopentane is CCC(C(C)C)C1CCCC1C(CC)C(C)C.
What is the InChIKey of 1,2-bis(2-methylpentan-3-yl)cyclopentane?
The InChIKey is GEIOUKSENQQSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-7-14(12(3)4)16-10-9-11-17(16)15(8-2)13(5)6/h12-17H,7-11H2,1-6H3.
What are the key properties of 1,2-bis(2-methylpentan-3-yl)cyclopentane?
1,2-bis(2-methylpentan-3-yl)cyclopentane has a molecular weight of 238.46 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylpentan-3-yl)cyclopentane is sourced from PubChem (CID 91097416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).