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

C18H18O2 — CID 102237622

IUPAC3-ethynyl-2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene
SMILESC#CC1=CCC(C#CC2=C(COC)C=CC2)=C1COC
InChIInChI=1S/C18H18O2/c1-4-14-8-10-16(18(14)13-20-3)11-9-15-6-5-7-17(15)12-19-2/h1,5,7-8H,6,10,12-13H2,2-3H3
InChIKeyLSFWNVJIKTYRGF-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.80
Rot. Bonds4

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

3-ethynyl-2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene (PubChem CID 102237622) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-ethynyl-2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name3-ethynyl-2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene
PubChem CID102237622
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name3-ethynyl-2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene
SMILESC#CC1=CCC(C#CC2=C(COC)C=CC2)=C1COC
InChIInChI=1S/C18H18O2/c1-4-14-8-10-16(18(14)13-20-3)11-9-15-6-5-7-17(15)12-19-2/h1,5,7-8H,6,10,12-13H2,2-3H3
InChIKeyLSFWNVJIKTYRGF-UHFFFAOYSA-N
XLogP2.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
1,2-Bis(methoxymethyl)cyclopenta-1,3-diene
CID 67203274
4-ethenyl-5,5-dimethyl-2H-furan;3-methyl-3-prop-2-enoxybut-1-yne
CID 159136545
2-(Pent-4-ynoxymethyl)cyclohexa-1,3-diene
CID 167520850
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
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
1-(Methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-[4-[2-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,4-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene
CID 102237628
1,3-Diethynyl-2-(methoxymethyl)cyclopenta-1,3-diene
CID 102237630

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene?
The IUPAC name of 3-ethynyl-2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene (CID 102237622) is 3-ethynyl-2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene.
What is the SMILES notation for 3-ethynyl-2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene?
The canonical SMILES for 3-ethynyl-2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene is C#CC1=CCC(C#CC2=C(COC)C=CC2)=C1COC.
What is the InChIKey of 3-ethynyl-2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene?
The InChIKey is LSFWNVJIKTYRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-4-14-8-10-16(18(14)13-20-3)11-9-15-6-5-7-17(15)12-19-2/h1,5,7-8H,6,10,12-13H2,2-3H3.
What are the key properties of 3-ethynyl-2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene?
3-ethynyl-2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene has a molecular weight of 266.34 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 3-ethynyl-2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene is sourced from PubChem (CID 102237622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).