propyl 2-[(1R,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]acetate

C14H24O4 — CID 57320081

IUPACpropyl 2-[(1R,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]acetate
SMILESCCCOC(=O)C[C@H]1CC[C@H](C)[C@H]1COC(C)=O
InChIInChI=1S/C14H24O4/c1-4-7-17-14(16)8-12-6-5-10(2)13(12)9-18-11(3)15/h10,12-13H,4-9H2,1-3H3/t10-,12+,13+/m0/s1
InChIKeyYWHKZILIERQFOV-CYZMBNFOSA-N
MW256.34 g/mol
LogP2.56
Rot. Bonds6

About propyl 2-[(1R,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]acetate

propyl 2-[(1R,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]acetate (PubChem CID 57320081) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is propyl 2-[(1R,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]acetate.

Molecular Properties

Compound Namepropyl 2-[(1R,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]acetate
PubChem CID57320081
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namepropyl 2-[(1R,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]acetate
SMILESCCCOC(=O)C[C@H]1CC[C@H](C)[C@H]1COC(C)=O
InChIInChI=1S/C14H24O4/c1-4-7-17-14(16)8-12-6-5-10(2)13(12)9-18-11(3)15/h10,12-13H,4-9H2,1-3H3/t10-,12+,13+/m0/s1
InChIKeyYWHKZILIERQFOV-CYZMBNFOSA-N
XLogP2.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 2-[(1R,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]acetate?
The IUPAC name of propyl 2-[(1R,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]acetate (CID 57320081) is propyl 2-[(1R,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]acetate.
What is the SMILES notation for propyl 2-[(1R,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]acetate?
The canonical SMILES for propyl 2-[(1R,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]acetate is CCCOC(=O)C[C@H]1CC[C@H](C)[C@H]1COC(C)=O.
What is the InChIKey of propyl 2-[(1R,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]acetate?
The InChIKey is YWHKZILIERQFOV-CYZMBNFOSA-N. The full InChI is InChI=1S/C14H24O4/c1-4-7-17-14(16)8-12-6-5-10(2)13(12)9-18-11(3)15/h10,12-13H,4-9H2,1-3H3/t10-,12+,13+/m0/s1.
What are the key properties of propyl 2-[(1R,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]acetate?
propyl 2-[(1R,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]acetate has a molecular weight of 256.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[(1R,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]acetate is sourced from PubChem (CID 57320081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).