2-bicyclo[1.1.1]pentanyl acetate

C7H10O2 — CID 23270357

IUPAC2-bicyclo[1.1.1]pentanyl acetate
SMILESCC(=O)OC1C2CC1C2
InChIInChI=1S/C7H10O2/c1-4(8)9-7-5-2-6(7)3-5/h5-7H,2-3H2,1H3
InChIKeyHJSIHMZWUJDRDB-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.96
Rot. Bonds1

About 2-bicyclo[1.1.1]pentanyl acetate

2-bicyclo[1.1.1]pentanyl acetate (PubChem CID 23270357) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-bicyclo[1.1.1]pentanyl acetate.

Molecular Properties

Compound Name2-bicyclo[1.1.1]pentanyl acetate
PubChem CID23270357
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name2-bicyclo[1.1.1]pentanyl acetate
SMILESCC(=O)OC1C2CC1C2
InChIInChI=1S/C7H10O2/c1-4(8)9-7-5-2-6(7)3-5/h5-7H,2-3H2,1H3
InChIKeyHJSIHMZWUJDRDB-UHFFFAOYSA-N
XLogP0.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-tetracyclo[5.3.1.12,6.04,9]dodecanyl acetate
CID 594790
[(1R,3R,6R)-3-tricyclo[2.2.1.02,6]heptanyl] acetate
CID 853444
[(1S,2S,3S,4S)-3-hydroxy-2-bicyclo[2.2.1]heptanyl] acetate
CID 6579410
[(1R,2R,3R,4R)-2,3,4-triacetyloxycyclopentyl] acetate
CID 101209546
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(1S,3R,4R,5S,6S,8R,9R,10S)-5,9,10-triacetyloxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] acetate
CID 56653848
(2,3,4,5,6-pentahydroxycyclohexyl) acetate
CID 19814832
[(1R,2S,4R,5S)-5-hydroxy-2-bicyclo[2.2.1]heptanyl] acetate
CID 10261524
(2,3,5-trimethylcyclopentyl) acetate
CID 131862740
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047
[(2S,3S,5R,6R)-2,3,4,5,6-pentachlorocyclohexyl] acetate
CID 101132735
[(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate
CID 124895533

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[1.1.1]pentanyl acetate?
The IUPAC name of 2-bicyclo[1.1.1]pentanyl acetate (CID 23270357) is 2-bicyclo[1.1.1]pentanyl acetate.
What is the SMILES notation for 2-bicyclo[1.1.1]pentanyl acetate?
The canonical SMILES for 2-bicyclo[1.1.1]pentanyl acetate is CC(=O)OC1C2CC1C2.
What is the InChIKey of 2-bicyclo[1.1.1]pentanyl acetate?
The InChIKey is HJSIHMZWUJDRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-4(8)9-7-5-2-6(7)3-5/h5-7H,2-3H2,1H3.
What are the key properties of 2-bicyclo[1.1.1]pentanyl acetate?
2-bicyclo[1.1.1]pentanyl acetate has a molecular weight of 126.16 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[1.1.1]pentanyl acetate is sourced from PubChem (CID 23270357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).