2-[2-(3-methylcyclopropen-1-yl)cyclobut-2-en-1-yl]oxolane

C12H16O — CID 88872314

IUPAC2-[2-(3-methylcyclopropen-1-yl)cyclobut-2-en-1-yl]oxolane
SMILESCC1C=C1C1=CCC1C1CCCO1
InChIInChI=1S/C12H16O/c1-8-7-11(8)9-4-5-10(9)12-3-2-6-13-12/h4,7-8,10,12H,2-3,5-6H2,1H3
InChIKeySWUOTQCCJWRREF-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.69
Rot. Bonds2

About 2-[2-(3-methylcyclopropen-1-yl)cyclobut-2-en-1-yl]oxolane

2-[2-(3-methylcyclopropen-1-yl)cyclobut-2-en-1-yl]oxolane (PubChem CID 88872314) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[2-(3-methylcyclopropen-1-yl)cyclobut-2-en-1-yl]oxolane.

Molecular Properties

Compound Name2-[2-(3-methylcyclopropen-1-yl)cyclobut-2-en-1-yl]oxolane
PubChem CID88872314
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-[2-(3-methylcyclopropen-1-yl)cyclobut-2-en-1-yl]oxolane
SMILESCC1C=C1C1=CCC1C1CCCO1
InChIInChI=1S/C12H16O/c1-8-7-11(8)9-4-5-10(9)12-3-2-6-13-12/h4,7-8,10,12H,2-3,5-6H2,1H3
InChIKeySWUOTQCCJWRREF-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(oxiran-2-yl)oxolane
CID 18759351
(2R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]oxolane
CID 11550131
(2R)-4-methyl-2-[(2R)-oxolan-2-yl]-2H-furan-5-one
CID 134856242
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
CID 23848053
(4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran
CID 100959925
3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one
CID 131123608
5-methyl-2-(oxolan-2-yl)-1,3-thiazolidine
CID 82837923
2,6-dimethyl-4-[3-[4-(oxolan-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine
CID 127996191
(2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane
CID 101448709
4-methyl-2-(oxolan-2-yl)piperidine
CID 130533417
(4aS,9aR)-2,3,4,4a,6,7,9,9a-octahydropyrano[2,3-b]azepine-5,8-dione
CID 130913931
3-(oxolan-2-yl)dioxolane
CID 22111450

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylcyclopropen-1-yl)cyclobut-2-en-1-yl]oxolane?
The IUPAC name of 2-[2-(3-methylcyclopropen-1-yl)cyclobut-2-en-1-yl]oxolane (CID 88872314) is 2-[2-(3-methylcyclopropen-1-yl)cyclobut-2-en-1-yl]oxolane.
What is the SMILES notation for 2-[2-(3-methylcyclopropen-1-yl)cyclobut-2-en-1-yl]oxolane?
The canonical SMILES for 2-[2-(3-methylcyclopropen-1-yl)cyclobut-2-en-1-yl]oxolane is CC1C=C1C1=CCC1C1CCCO1.
What is the InChIKey of 2-[2-(3-methylcyclopropen-1-yl)cyclobut-2-en-1-yl]oxolane?
The InChIKey is SWUOTQCCJWRREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-8-7-11(8)9-4-5-10(9)12-3-2-6-13-12/h4,7-8,10,12H,2-3,5-6H2,1H3.
What are the key properties of 2-[2-(3-methylcyclopropen-1-yl)cyclobut-2-en-1-yl]oxolane?
2-[2-(3-methylcyclopropen-1-yl)cyclobut-2-en-1-yl]oxolane has a molecular weight of 176.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylcyclopropen-1-yl)cyclobut-2-en-1-yl]oxolane is sourced from PubChem (CID 88872314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).