methyl 7-[2-acetyloxy-2-hydroxy-5-(2-oxoethyl)cyclopentyl]heptanoate

C17H28O6 — CID 19755867

IUPACmethyl 7-[2-acetyloxy-2-hydroxy-5-(2-oxoethyl)cyclopentyl]heptanoate
SMILESCOC(=O)CCCCCCC1C(CC=O)CCC1(O)OC(C)=O
InChIInChI=1S/C17H28O6/c1-13(19)23-17(21)11-9-14(10-12-18)15(17)7-5-3-4-6-8-16(20)22-2/h12,14-15,21H,3-11H2,1-2H3
InChIKeyUUUZSGJGOMEDLT-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.37
Rot. Bonds10

About methyl 7-[2-acetyloxy-2-hydroxy-5-(2-oxoethyl)cyclopentyl]heptanoate

methyl 7-[2-acetyloxy-2-hydroxy-5-(2-oxoethyl)cyclopentyl]heptanoate (PubChem CID 19755867) has the molecular formula C17H28O6 and a molecular weight of 328.41 g/mol. Its IUPAC name is methyl 7-[2-acetyloxy-2-hydroxy-5-(2-oxoethyl)cyclopentyl]heptanoate.

Molecular Properties

Compound Namemethyl 7-[2-acetyloxy-2-hydroxy-5-(2-oxoethyl)cyclopentyl]heptanoate
PubChem CID19755867
Molecular FormulaC17H28O6
Molecular Weight328.41 g/mol
Exact Mass328.19
IUPAC Namemethyl 7-[2-acetyloxy-2-hydroxy-5-(2-oxoethyl)cyclopentyl]heptanoate
SMILESCOC(=O)CCCCCCC1C(CC=O)CCC1(O)OC(C)=O
InChIInChI=1S/C17H28O6/c1-13(19)23-17(21)11-9-14(10-12-18)15(17)7-5-3-4-6-8-16(20)22-2/h12,14-15,21H,3-11H2,1-2H3
InChIKeyUUUZSGJGOMEDLT-UHFFFAOYSA-N
XLogP2.37
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Methyl 6-(2-formyl-5-hydroxycyclopentyl)hexanoate
CID 134979052
7-(2-Formyl-5-hydroxycyclopentyl)heptanoic acid
CID 12719291
Methyl 7-(5-acetyloxy-2-formyl-3-hydroxycyclopentyl)heptanoate
CID 12876505
2-Formyl-5-(tetrahydropyran-2-yloxy)-cyclopentaneheptanoic acid
CID 20373753
Methyl 7-(2-acetyloxy-5-formylcyclopentyl)heptanoate
CID 21319559
6-[2-Formyl-5-(oxan-2-yloxy)cyclopentyl]hexanoic acid
CID 21403645
Ethyl 7-[3-hydroxy-5-oxo-2-(3-oxobutyl)cyclopentyl]heptanoate
CID 21507816
7-[(1R,2R,3R,5S)-3,5-diacetyloxy-2-formylcyclopentyl]heptanoic acid
CID 22817109
Methyl 7-(2-formyl-5-hydroxycyclopentyl)heptanoate
CID 24974172
methyl 7-[(1R,2S,5S)-2-acetyloxy-5-formylcyclopentyl]heptanoate
CID 57211738
methyl 7-[(2S)-2-acetyloxy-5-formylcyclopentyl]heptanoate
CID 58696574
methyl 7-[(5S)-2-acetyloxy-5-formylcyclopentyl]heptanoate
CID 58749581

Frequently Asked Questions

What is the IUPAC name of methyl 7-[2-acetyloxy-2-hydroxy-5-(2-oxoethyl)cyclopentyl]heptanoate?
The IUPAC name of methyl 7-[2-acetyloxy-2-hydroxy-5-(2-oxoethyl)cyclopentyl]heptanoate (CID 19755867) is methyl 7-[2-acetyloxy-2-hydroxy-5-(2-oxoethyl)cyclopentyl]heptanoate.
What is the SMILES notation for methyl 7-[2-acetyloxy-2-hydroxy-5-(2-oxoethyl)cyclopentyl]heptanoate?
The canonical SMILES for methyl 7-[2-acetyloxy-2-hydroxy-5-(2-oxoethyl)cyclopentyl]heptanoate is COC(=O)CCCCCCC1C(CC=O)CCC1(O)OC(C)=O.
What is the InChIKey of methyl 7-[2-acetyloxy-2-hydroxy-5-(2-oxoethyl)cyclopentyl]heptanoate?
The InChIKey is UUUZSGJGOMEDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O6/c1-13(19)23-17(21)11-9-14(10-12-18)15(17)7-5-3-4-6-8-16(20)22-2/h12,14-15,21H,3-11H2,1-2H3.
What are the key properties of methyl 7-[2-acetyloxy-2-hydroxy-5-(2-oxoethyl)cyclopentyl]heptanoate?
methyl 7-[2-acetyloxy-2-hydroxy-5-(2-oxoethyl)cyclopentyl]heptanoate has a molecular weight of 328.41 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[2-acetyloxy-2-hydroxy-5-(2-oxoethyl)cyclopentyl]heptanoate is sourced from PubChem (CID 19755867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).