1-methoxypentylidenecyclopentane

C11H20O — CID 134921773

IUPAC1-methoxypentylidenecyclopentane
SMILESCCCCC(OC)=C1CCCC1
InChIInChI=1S/C11H20O/c1-3-4-9-11(12-2)10-7-5-6-8-10/h3-9H2,1-2H3
InChIKeyCGFPQHZLISCZBC-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.65
Rot. Bonds4

About 1-methoxypentylidenecyclopentane

1-methoxypentylidenecyclopentane (PubChem CID 134921773) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-methoxypentylidenecyclopentane.

Molecular Properties

Compound Name1-methoxypentylidenecyclopentane
PubChem CID134921773
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-methoxypentylidenecyclopentane
SMILESCCCCC(OC)=C1CCCC1
InChIInChI=1S/C11H20O/c1-3-4-9-11(12-2)10-7-5-6-8-10/h3-9H2,1-2H3
InChIKeyCGFPQHZLISCZBC-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypentylidenecyclopentane?
The IUPAC name of 1-methoxypentylidenecyclopentane (CID 134921773) is 1-methoxypentylidenecyclopentane.
What is the SMILES notation for 1-methoxypentylidenecyclopentane?
The canonical SMILES for 1-methoxypentylidenecyclopentane is CCCCC(OC)=C1CCCC1.
What is the InChIKey of 1-methoxypentylidenecyclopentane?
The InChIKey is CGFPQHZLISCZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-9-11(12-2)10-7-5-6-8-10/h3-9H2,1-2H3.
What are the key properties of 1-methoxypentylidenecyclopentane?
1-methoxypentylidenecyclopentane has a molecular weight of 168.28 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypentylidenecyclopentane is sourced from PubChem (CID 134921773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).