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

C9H10O — CID 102237620

IUPAC1-ethynyl-2-(methoxymethyl)cyclopenta-1,3-diene
SMILESC#CC1=C(COC)C=CC1
InChIInChI=1S/C9H10O/c1-3-8-5-4-6-9(8)7-10-2/h1,4,6H,5,7H2,2H3
InChIKeyJEHBJNOFSGXIIY-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.52
Rot. Bonds2

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

1-ethynyl-2-(methoxymethyl)cyclopenta-1,3-diene (PubChem CID 102237620) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-ethynyl-2-(methoxymethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-ethynyl-2-(methoxymethyl)cyclopenta-1,3-diene
PubChem CID102237620
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name1-ethynyl-2-(methoxymethyl)cyclopenta-1,3-diene
SMILESC#CC1=C(COC)C=CC1
InChIInChI=1S/C9H10O/c1-3-8-5-4-6-9(8)7-10-2/h1,4,6H,5,7H2,2H3
InChIKeyJEHBJNOFSGXIIY-UHFFFAOYSA-N
XLogP1.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.52
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

Cyclo-pentadienylmethyl propargyl ether
CID 129812382
Vinylpropargylallyl ether
CID 129859705
(E)-7-methoxy-5-methylhept-5-en-1-yne
CID 135021444
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

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-2-(methoxymethyl)cyclopenta-1,3-diene?
The IUPAC name of 1-ethynyl-2-(methoxymethyl)cyclopenta-1,3-diene (CID 102237620) is 1-ethynyl-2-(methoxymethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-ethynyl-2-(methoxymethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-ethynyl-2-(methoxymethyl)cyclopenta-1,3-diene is C#CC1=C(COC)C=CC1.
What is the InChIKey of 1-ethynyl-2-(methoxymethyl)cyclopenta-1,3-diene?
The InChIKey is JEHBJNOFSGXIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-3-8-5-4-6-9(8)7-10-2/h1,4,6H,5,7H2,2H3.
What are the key properties of 1-ethynyl-2-(methoxymethyl)cyclopenta-1,3-diene?
1-ethynyl-2-(methoxymethyl)cyclopenta-1,3-diene has a molecular weight of 134.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-2-(methoxymethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 102237620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).