1-(ethoxymethyl)cyclopenta-1,3-diene

C8H12O — CID 12524798

IUPAC1-(ethoxymethyl)cyclopenta-1,3-diene
SMILESCCOCC1=CC=CC1
InChIInChI=1S/C8H12O/c1-2-9-7-8-5-3-4-6-8/h3-5H,2,6-7H2,1H3
InChIKeyRHMMDPOMABYGHR-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.91
Rot. Bonds3

About 1-(ethoxymethyl)cyclopenta-1,3-diene

1-(ethoxymethyl)cyclopenta-1,3-diene (PubChem CID 12524798) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-(ethoxymethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(ethoxymethyl)cyclopenta-1,3-diene
PubChem CID12524798
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1-(ethoxymethyl)cyclopenta-1,3-diene
SMILESCCOCC1=CC=CC1
InChIInChI=1S/C8H12O/c1-2-9-7-8-5-3-4-6-8/h3-5H,2,6-7H2,1H3
InChIKeyRHMMDPOMABYGHR-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)cyclopenta-1,3-diene?
The IUPAC name of 1-(ethoxymethyl)cyclopenta-1,3-diene (CID 12524798) is 1-(ethoxymethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(ethoxymethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(ethoxymethyl)cyclopenta-1,3-diene is CCOCC1=CC=CC1.
What is the InChIKey of 1-(ethoxymethyl)cyclopenta-1,3-diene?
The InChIKey is RHMMDPOMABYGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-9-7-8-5-3-4-6-8/h3-5H,2,6-7H2,1H3.
What are the key properties of 1-(ethoxymethyl)cyclopenta-1,3-diene?
1-(ethoxymethyl)cyclopenta-1,3-diene has a molecular weight of 124.18 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 12524798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).