1,2-bis(methoxymethyl)cyclopenta-1,3-diene

C9H14O2 — CID 67203274

IUPAC1,2-bis(methoxymethyl)cyclopenta-1,3-diene
SMILESCOCC1=C(COC)CC=C1
InChIInChI=1S/C9H14O2/c1-10-6-8-4-3-5-9(8)7-11-2/h3-4H,5-7H2,1-2H3
InChIKeyLJZKOAKEMDUBSF-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.54
Rot. Bonds4

About 1,2-bis(methoxymethyl)cyclopenta-1,3-diene

1,2-bis(methoxymethyl)cyclopenta-1,3-diene (PubChem CID 67203274) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1,2-bis(methoxymethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2-bis(methoxymethyl)cyclopenta-1,3-diene
PubChem CID67203274
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1,2-bis(methoxymethyl)cyclopenta-1,3-diene
SMILESCOCC1=C(COC)CC=C1
InChIInChI=1S/C9H14O2/c1-10-6-8-4-3-5-9(8)7-11-2/h3-4H,5-7H2,1-2H3
InChIKeyLJZKOAKEMDUBSF-UHFFFAOYSA-N
XLogP1.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(methoxymethyl)cyclopenta-1,3-diene?
The IUPAC name of 1,2-bis(methoxymethyl)cyclopenta-1,3-diene (CID 67203274) is 1,2-bis(methoxymethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2-bis(methoxymethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2-bis(methoxymethyl)cyclopenta-1,3-diene is COCC1=C(COC)CC=C1.
What is the InChIKey of 1,2-bis(methoxymethyl)cyclopenta-1,3-diene?
The InChIKey is LJZKOAKEMDUBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-10-6-8-4-3-5-9(8)7-11-2/h3-4H,5-7H2,1-2H3.
What are the key properties of 1,2-bis(methoxymethyl)cyclopenta-1,3-diene?
1,2-bis(methoxymethyl)cyclopenta-1,3-diene has a molecular weight of 154.21 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(methoxymethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 67203274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).