1,3-bis(3-methylbutyl)cyclopenta-1,3-diene

C15H26 — CID 141282464

IUPAC1,3-bis(3-methylbutyl)cyclopenta-1,3-diene
SMILESCC(C)CCC1=CCC(CCC(C)C)=C1
InChIInChI=1S/C15H26/c1-12(2)5-7-14-9-10-15(11-14)8-6-13(3)4/h9,11-13H,5-8,10H2,1-4H3
InChIKeyTYRHEVWFUNAJFV-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.12
Rot. Bonds6

About 1,3-bis(3-methylbutyl)cyclopenta-1,3-diene

1,3-bis(3-methylbutyl)cyclopenta-1,3-diene (PubChem CID 141282464) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1,3-bis(3-methylbutyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,3-bis(3-methylbutyl)cyclopenta-1,3-diene
PubChem CID141282464
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1,3-bis(3-methylbutyl)cyclopenta-1,3-diene
SMILESCC(C)CCC1=CCC(CCC(C)C)=C1
InChIInChI=1S/C15H26/c1-12(2)5-7-14-9-10-15(11-14)8-6-13(3)4/h9,11-13H,5-8,10H2,1-4H3
InChIKeyTYRHEVWFUNAJFV-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-methylbutyl)cyclopenta-1,3-diene?
The IUPAC name of 1,3-bis(3-methylbutyl)cyclopenta-1,3-diene (CID 141282464) is 1,3-bis(3-methylbutyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,3-bis(3-methylbutyl)cyclopenta-1,3-diene?
The canonical SMILES for 1,3-bis(3-methylbutyl)cyclopenta-1,3-diene is CC(C)CCC1=CCC(CCC(C)C)=C1.
What is the InChIKey of 1,3-bis(3-methylbutyl)cyclopenta-1,3-diene?
The InChIKey is TYRHEVWFUNAJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-12(2)5-7-14-9-10-15(11-14)8-6-13(3)4/h9,11-13H,5-8,10H2,1-4H3.
What are the key properties of 1,3-bis(3-methylbutyl)cyclopenta-1,3-diene?
1,3-bis(3-methylbutyl)cyclopenta-1,3-diene has a molecular weight of 206.37 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methylbutyl)cyclopenta-1,3-diene is sourced from PubChem (CID 141282464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).