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

C11H10O — CID 102237630

IUPAC1,3-diethynyl-2-(methoxymethyl)cyclopenta-1,3-diene
SMILESC#CC1=CCC(C#C)=C1COC
InChIInChI=1S/C11H10O/c1-4-9-6-7-10(5-2)11(9)8-12-3/h1-2,6H,7-8H2,3H3
InChIKeyCJUZGADPZDNXKP-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.53
Rot. Bonds2

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

1,3-diethynyl-2-(methoxymethyl)cyclopenta-1,3-diene (PubChem CID 102237630) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 1,3-diethynyl-2-(methoxymethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,3-diethynyl-2-(methoxymethyl)cyclopenta-1,3-diene
PubChem CID102237630
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name1,3-diethynyl-2-(methoxymethyl)cyclopenta-1,3-diene
SMILESC#CC1=CCC(C#C)=C1COC
InChIInChI=1S/C11H10O/c1-4-9-6-7-10(5-2)11(9)8-12-3/h1-2,6H,7-8H2,3H3
InChIKeyCJUZGADPZDNXKP-UHFFFAOYSA-N
XLogP1.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.53
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
(3Z)-6-methoxy-3-(2-methoxyethylidene)-2-(methoxymethyl)hex-1-en-4-yne
CID 135080445
2-(Methoxymethyl)-1,3-dimethylcyclopenta-1,3-diene
CID 15965833
(3E,5Z)-4-(methoxymethyl)hepta-3,5-dien-1-yne
CID 126544021
2-Ethynyl-5-methoxy-1,3-dimethylcyclohexa-1,3-diene
CID 163818511
5-[(Z)-but-1-en-3-ynyl]-4-methyl-3,6-dihydro-2H-pyran
CID 174154316
1-Ethynyl-3-iodo-2-(methoxymethyl)cyclopenta-1,3-diene
CID 102237619
1-Ethynyl-2-(methoxymethyl)cyclopenta-1,3-diene
CID 102237620
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
1-(2-Cyclopenta-1,3-dien-1-ylethynyl)-2-(methoxymethyl)cyclopenta-1,3-diene
CID 102237632
(2E,3Z)-3-ethylidene-2-prop-2-ynylideneoxolane
CID 142120827

Frequently Asked Questions

What is the IUPAC name of 1,3-diethynyl-2-(methoxymethyl)cyclopenta-1,3-diene?
The IUPAC name of 1,3-diethynyl-2-(methoxymethyl)cyclopenta-1,3-diene (CID 102237630) is 1,3-diethynyl-2-(methoxymethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,3-diethynyl-2-(methoxymethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1,3-diethynyl-2-(methoxymethyl)cyclopenta-1,3-diene is C#CC1=CCC(C#C)=C1COC.
What is the InChIKey of 1,3-diethynyl-2-(methoxymethyl)cyclopenta-1,3-diene?
The InChIKey is CJUZGADPZDNXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c1-4-9-6-7-10(5-2)11(9)8-12-3/h1-2,6H,7-8H2,3H3.
What are the key properties of 1,3-diethynyl-2-(methoxymethyl)cyclopenta-1,3-diene?
1,3-diethynyl-2-(methoxymethyl)cyclopenta-1,3-diene has a molecular weight of 158.20 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethynyl-2-(methoxymethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 102237630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).