2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene

C16H18O2 — CID 102237633

IUPAC2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene
SMILESCOCC1=C(C#CC2=C(COC)C=CC2)CC=C1
InChIInChI=1S/C16H18O2/c1-17-11-15-7-3-5-13(15)9-10-14-6-4-8-16(14)12-18-2/h3-4,7-8H,5-6,11-12H2,1-2H3
InChIKeyDLILWIXDKYGDNL-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.80
Rot. Bonds4

About 2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene

2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene (PubChem CID 102237633) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene
PubChem CID102237633
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene
SMILESCOCC1=C(C#CC2=C(COC)C=CC2)CC=C1
InChIInChI=1S/C16H18O2/c1-17-11-15-7-3-5-13(15)9-10-14-6-4-8-16(14)12-18-2/h3-4,7-8H,5-6,11-12H2,1-2H3
InChIKeyDLILWIXDKYGDNL-UHFFFAOYSA-N
XLogP2.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene with MolForge

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Related Compounds

Vinylpropargylallyl ether
CID 129859705
(3Z)-6-methoxy-3-(2-methoxyethylidene)-2-(methoxymethyl)hex-1-en-4-yne
CID 135080445
Bis(2-(1-methoxyethyl)cyclopenta-1,3-diene);vanadium(2+)
CID 18368711
Bis(2-(1-methoxyethyl)cyclopenta-1,3-diene);zirconium(2+)
CID 88305136
4-ethenyl-5,5-dimethyl-2H-furan;3-methyl-3-prop-2-enoxybut-1-yne
CID 159136545
3-[2-(2,5-Dihydrofuran-3-yl)ethynyl]-4-[2-(4-ethenyl-2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran
CID 101386559
1-Ethynyl-2-(methoxymethyl)cyclopenta-1,3-diene
CID 102237620
Triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane
CID 102237621
3-Ethynyl-2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene
CID 102237622
1-[2-[3-Ethynyl-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene
CID 102237624
2-(Methoxymethyl)-1-[4-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene
CID 102237625
1-[2-[4-[2-[3-Ethynyl-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-5-(methoxymethyl)cyclopenta-1,4-dien-1-yl]ethynyl]-2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene
CID 102237627

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene?
The IUPAC name of 2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene (CID 102237633) is 2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene.
What is the SMILES notation for 2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene?
The canonical SMILES for 2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene is COCC1=C(C#CC2=C(COC)C=CC2)CC=C1.
What is the InChIKey of 2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene?
The InChIKey is DLILWIXDKYGDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-17-11-15-7-3-5-13(15)9-10-14-6-4-8-16(14)12-18-2/h3-4,7-8H,5-6,11-12H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene?
2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene has a molecular weight of 242.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene is sourced from PubChem (CID 102237633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).