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

C11H18O2 — CID 54063027

IUPAC1,2-bis(2-methoxyethyl)cyclopenta-1,3-diene
SMILESCOCCC1=C(CCOC)CC=C1
InChIInChI=1S/C11H18O2/c1-12-8-6-10-4-3-5-11(10)7-9-13-2/h3-4H,5-9H2,1-2H3
InChIKeyMBBFTVOZKDGEEO-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.32
Rot. Bonds6

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

1,2-bis(2-methoxyethyl)cyclopenta-1,3-diene (PubChem CID 54063027) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1,2-bis(2-methoxyethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2-bis(2-methoxyethyl)cyclopenta-1,3-diene
PubChem CID54063027
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1,2-bis(2-methoxyethyl)cyclopenta-1,3-diene
SMILESCOCCC1=C(CCOC)CC=C1
InChIInChI=1S/C11H18O2/c1-12-8-6-10-4-3-5-11(10)7-9-13-2/h3-4H,5-9H2,1-2H3
InChIKeyMBBFTVOZKDGEEO-UHFFFAOYSA-N
XLogP2.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methoxyethyl)cyclopenta-1,3-diene?
The IUPAC name of 1,2-bis(2-methoxyethyl)cyclopenta-1,3-diene (CID 54063027) is 1,2-bis(2-methoxyethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2-bis(2-methoxyethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2-bis(2-methoxyethyl)cyclopenta-1,3-diene is COCCC1=C(CCOC)CC=C1.
What is the InChIKey of 1,2-bis(2-methoxyethyl)cyclopenta-1,3-diene?
The InChIKey is MBBFTVOZKDGEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-12-8-6-10-4-3-5-11(10)7-9-13-2/h3-4H,5-9H2,1-2H3.
What are the key properties of 1,2-bis(2-methoxyethyl)cyclopenta-1,3-diene?
1,2-bis(2-methoxyethyl)cyclopenta-1,3-diene has a molecular weight of 182.26 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methoxyethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 54063027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).