1-[(E)-but-2-enyl]-1-(methoxymethyl)cyclopentane

C11H20O — CID 89190140

IUPAC1-[(E)-but-2-enyl]-1-(methoxymethyl)cyclopentane
SMILESC/C=C/CC1(COC)CCCC1
InChIInChI=1S/C11H20O/c1-3-4-7-11(10-12-2)8-5-6-9-11/h3-4H,5-10H2,1-2H3/b4-3+
InChIKeyRMBNCZSWGXDYPB-ONEGZZNKSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds4

About 1-[(E)-but-2-enyl]-1-(methoxymethyl)cyclopentane

1-[(E)-but-2-enyl]-1-(methoxymethyl)cyclopentane (PubChem CID 89190140) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-1-(methoxymethyl)cyclopentane.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-1-(methoxymethyl)cyclopentane
PubChem CID89190140
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-[(E)-but-2-enyl]-1-(methoxymethyl)cyclopentane
SMILESC/C=C/CC1(COC)CCCC1
InChIInChI=1S/C11H20O/c1-3-4-7-11(10-12-2)8-5-6-9-11/h3-4H,5-10H2,1-2H3/b4-3+
InChIKeyRMBNCZSWGXDYPB-ONEGZZNKSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-1-(methoxymethyl)cyclopentane?
The IUPAC name of 1-[(E)-but-2-enyl]-1-(methoxymethyl)cyclopentane (CID 89190140) is 1-[(E)-but-2-enyl]-1-(methoxymethyl)cyclopentane.
What is the SMILES notation for 1-[(E)-but-2-enyl]-1-(methoxymethyl)cyclopentane?
The canonical SMILES for 1-[(E)-but-2-enyl]-1-(methoxymethyl)cyclopentane is C/C=C/CC1(COC)CCCC1.
What is the InChIKey of 1-[(E)-but-2-enyl]-1-(methoxymethyl)cyclopentane?
The InChIKey is RMBNCZSWGXDYPB-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-7-11(10-12-2)8-5-6-9-11/h3-4H,5-10H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-but-2-enyl]-1-(methoxymethyl)cyclopentane?
1-[(E)-but-2-enyl]-1-(methoxymethyl)cyclopentane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-1-(methoxymethyl)cyclopentane is sourced from PubChem (CID 89190140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).