4-methyl-4-(propoxymethyl)cyclopentene

C10H18O — CID 122413525

IUPAC4-methyl-4-(propoxymethyl)cyclopentene
SMILESCCCOCC1(C)CC=CC1
InChIInChI=1S/C10H18O/c1-3-8-11-9-10(2)6-4-5-7-10/h4-5H,3,6-9H2,1-2H3
InChIKeyYNIDKOXSZZJPAL-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds4

About 4-methyl-4-(propoxymethyl)cyclopentene

4-methyl-4-(propoxymethyl)cyclopentene (PubChem CID 122413525) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-methyl-4-(propoxymethyl)cyclopentene.

Molecular Properties

Compound Name4-methyl-4-(propoxymethyl)cyclopentene
PubChem CID122413525
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-methyl-4-(propoxymethyl)cyclopentene
SMILESCCCOCC1(C)CC=CC1
InChIInChI=1S/C10H18O/c1-3-8-11-9-10(2)6-4-5-7-10/h4-5H,3,6-9H2,1-2H3
InChIKeyYNIDKOXSZZJPAL-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(propoxymethyl)cyclopentene?
The IUPAC name of 4-methyl-4-(propoxymethyl)cyclopentene (CID 122413525) is 4-methyl-4-(propoxymethyl)cyclopentene.
What is the SMILES notation for 4-methyl-4-(propoxymethyl)cyclopentene?
The canonical SMILES for 4-methyl-4-(propoxymethyl)cyclopentene is CCCOCC1(C)CC=CC1.
What is the InChIKey of 4-methyl-4-(propoxymethyl)cyclopentene?
The InChIKey is YNIDKOXSZZJPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-8-11-9-10(2)6-4-5-7-10/h4-5H,3,6-9H2,1-2H3.
What are the key properties of 4-methyl-4-(propoxymethyl)cyclopentene?
4-methyl-4-(propoxymethyl)cyclopentene has a molecular weight of 154.25 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(propoxymethyl)cyclopentene is sourced from PubChem (CID 122413525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).