5-(1-methoxyethyl)cyclopenta-1,3-diene

C8H12O — CID 12576235

IUPAC5-(1-methoxyethyl)cyclopenta-1,3-diene
SMILESCOC(C)C1C=CC=C1
InChIInChI=1S/C8H12O/c1-7(9-2)8-5-3-4-6-8/h3-8H,1-2H3
InChIKeyATBDNQFMRYRCHI-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.76
Rot. Bonds2

About 5-(1-methoxyethyl)cyclopenta-1,3-diene

5-(1-methoxyethyl)cyclopenta-1,3-diene (PubChem CID 12576235) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 5-(1-methoxyethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(1-methoxyethyl)cyclopenta-1,3-diene
PubChem CID12576235
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name5-(1-methoxyethyl)cyclopenta-1,3-diene
SMILESCOC(C)C1C=CC=C1
InChIInChI=1S/C8H12O/c1-7(9-2)8-5-3-4-6-8/h3-8H,1-2H3
InChIKeyATBDNQFMRYRCHI-UHFFFAOYSA-N
XLogP1.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxyethyl)cyclopenta-1,3-diene?
The IUPAC name of 5-(1-methoxyethyl)cyclopenta-1,3-diene (CID 12576235) is 5-(1-methoxyethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(1-methoxyethyl)cyclopenta-1,3-diene?
The canonical SMILES for 5-(1-methoxyethyl)cyclopenta-1,3-diene is COC(C)C1C=CC=C1.
What is the InChIKey of 5-(1-methoxyethyl)cyclopenta-1,3-diene?
The InChIKey is ATBDNQFMRYRCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-7(9-2)8-5-3-4-6-8/h3-8H,1-2H3.
What are the key properties of 5-(1-methoxyethyl)cyclopenta-1,3-diene?
5-(1-methoxyethyl)cyclopenta-1,3-diene has a molecular weight of 124.18 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 12576235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).