1-methoxycyclopenta-1,3-diene

C6H8O — CID 10931370

IUPAC1-methoxycyclopenta-1,3-diene
SMILESCOC1=CC=CC1
InChIInChI=1S/C6H8O/c1-7-6-4-2-3-5-6/h2-4H,5H2,1H3
InChIKeyKLZWUTJBIYIMMK-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.48
Rot. Bonds1

About 1-methoxycyclopenta-1,3-diene

1-methoxycyclopenta-1,3-diene (PubChem CID 10931370) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 1-methoxycyclopenta-1,3-diene.

Molecular Properties

Compound Name1-methoxycyclopenta-1,3-diene
PubChem CID10931370
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name1-methoxycyclopenta-1,3-diene
SMILESCOC1=CC=CC1
InChIInChI=1S/C6H8O/c1-7-6-4-2-3-5-6/h2-4H,5H2,1H3
InChIKeyKLZWUTJBIYIMMK-UHFFFAOYSA-N
XLogP1.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxycyclopenta-1,3-diene?
The IUPAC name of 1-methoxycyclopenta-1,3-diene (CID 10931370) is 1-methoxycyclopenta-1,3-diene.
What is the SMILES notation for 1-methoxycyclopenta-1,3-diene?
The canonical SMILES for 1-methoxycyclopenta-1,3-diene is COC1=CC=CC1.
What is the InChIKey of 1-methoxycyclopenta-1,3-diene?
The InChIKey is KLZWUTJBIYIMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-7-6-4-2-3-5-6/h2-4H,5H2,1H3.
What are the key properties of 1-methoxycyclopenta-1,3-diene?
1-methoxycyclopenta-1,3-diene has a molecular weight of 96.13 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxycyclopenta-1,3-diene is sourced from PubChem (CID 10931370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).