1-(2-cyclopenta-1,3-dien-1-ylethynyl)-2-(methoxymethyl)cyclopenta-1,3-diene

C14H14O — CID 102237632

IUPAC1-(2-cyclopenta-1,3-dien-1-ylethynyl)-2-(methoxymethyl)cyclopenta-1,3-diene
SMILESCOCC1=C(C#CC2=CC=CC2)CC=C1
InChIInChI=1S/C14H14O/c1-15-11-14-8-4-7-13(14)10-9-12-5-2-3-6-12/h2-5,8H,6-7,11H2,1H3
InChIKeyNUVOKTWGZCGZNF-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.78
Rot. Bonds2

About 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-2-(methoxymethyl)cyclopenta-1,3-diene

1-(2-cyclopenta-1,3-dien-1-ylethynyl)-2-(methoxymethyl)cyclopenta-1,3-diene (PubChem CID 102237632) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-2-(methoxymethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(2-cyclopenta-1,3-dien-1-ylethynyl)-2-(methoxymethyl)cyclopenta-1,3-diene
PubChem CID102237632
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name1-(2-cyclopenta-1,3-dien-1-ylethynyl)-2-(methoxymethyl)cyclopenta-1,3-diene
SMILESCOCC1=C(C#CC2=CC=CC2)CC=C1
InChIInChI=1S/C14H14O/c1-15-11-14-8-4-7-13(14)10-9-12-5-2-3-6-12/h2-5,8H,6-7,11H2,1H3
InChIKeyNUVOKTWGZCGZNF-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 170843551
CID 170843551
2-(Methoxymethyl)cyclopenta-1,3-diene
CID 13218121
2-(Methoxymethyl)-1,3-dimethylcyclopenta-1,3-diene
CID 15965833
2-(Methoxymethyl)cyclohexa-1,3-diene
CID 19748000
1,2-Bis(methoxymethyl)cyclopenta-1,3-diene
CID 67203274
(3Z,5E)-5-(methoxymethyl)hepta-1,3,5-triene
CID 87419411
(3E,5Z)-4-(methoxymethyl)hepta-1,3,5-triene
CID 89133085
6-Methoxy-2-prop-1-ynylcyclohexa-1,3-diene
CID 89176305
5-Methoxy-2-prop-1-ynylcyclohexa-1,3-diene
CID 89176306
(2E,4Z)-3-(methoxymethyl)hexa-2,4-diene
CID 89184869
3-Butylidenefuran
CID 91060888
3-(Methoxymethyl)hexa-2,4-diene
CID 123265019

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-2-(methoxymethyl)cyclopenta-1,3-diene?
The IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-2-(methoxymethyl)cyclopenta-1,3-diene (CID 102237632) is 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-2-(methoxymethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-2-(methoxymethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-2-(methoxymethyl)cyclopenta-1,3-diene is COCC1=C(C#CC2=CC=CC2)CC=C1.
What is the InChIKey of 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-2-(methoxymethyl)cyclopenta-1,3-diene?
The InChIKey is NUVOKTWGZCGZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-15-11-14-8-4-7-13(14)10-9-12-5-2-3-6-12/h2-5,8H,6-7,11H2,1H3.
What are the key properties of 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-2-(methoxymethyl)cyclopenta-1,3-diene?
1-(2-cyclopenta-1,3-dien-1-ylethynyl)-2-(methoxymethyl)cyclopenta-1,3-diene has a molecular weight of 198.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-2-(methoxymethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 102237632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).