cyclopenten-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone

C14H22O2 — CID 103447978

IUPACcyclopenten-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCC1(C)CC(C(=O)C2=CCCC2)C(C)(C)O1
InChIInChI=1S/C14H22O2/c1-13(2)9-11(14(3,4)16-13)12(15)10-7-5-6-8-10/h7,11H,5-6,8-9H2,1-4H3
InChIKeyNAARYDKIHJGBQU-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.26
Rot. Bonds2

About cyclopenten-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone

cyclopenten-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone (PubChem CID 103447978) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is cyclopenten-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
PubChem CID103447978
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Namecyclopenten-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCC1(C)CC(C(=O)C2=CCCC2)C(C)(C)O1
InChIInChI=1S/C14H22O2/c1-13(2)9-11(14(3,4)16-13)12(15)10-7-5-6-8-10/h7,11H,5-6,8-9H2,1-4H3
InChIKeyNAARYDKIHJGBQU-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 155653739
Cyclohexen-1-yl(oxolan-3-yl)methanone
CID 62077800
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CID 62078146
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CID 62078833
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CID 65154539
Cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65154589
Cyclohexen-1-yl-(2-methyloxolan-3-yl)methanone
CID 79758049
Cyclopenten-1-yl-(2-methyloxolan-3-yl)methanone
CID 79758236
Cyclohepten-1-yl-(2-methyloxolan-3-yl)methanone
CID 79758237
(5R,9S)-9-butyl-2,2-dimethyl-1-oxaspiro[4.4]non-6-en-8-one
CID 102361784
2-Methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)prop-2-en-1-one
CID 103446336

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The IUPAC name of cyclopenten-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone (CID 103447978) is cyclopenten-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone.
What is the SMILES notation for cyclopenten-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The canonical SMILES for cyclopenten-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone is CC1(C)CC(C(=O)C2=CCCC2)C(C)(C)O1.
What is the InChIKey of cyclopenten-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The InChIKey is NAARYDKIHJGBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-13(2)9-11(14(3,4)16-13)12(15)10-7-5-6-8-10/h7,11H,5-6,8-9H2,1-4H3.
What are the key properties of cyclopenten-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
cyclopenten-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone has a molecular weight of 222.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone is sourced from PubChem (CID 103447978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).