3-[2-(1-methylcyclopentyl)acetyl]oxypropyl 2-(1-methylcyclopentyl)acetate

C19H32O4 — CID 131972587

IUPAC3-[2-(1-methylcyclopentyl)acetyl]oxypropyl 2-(1-methylcyclopentyl)acetate
SMILESCC1(CC(=O)OCCCOC(=O)CC2(C)CCCC2)CCCC1
InChIInChI=1S/C19H32O4/c1-18(8-3-4-9-18)14-16(20)22-12-7-13-23-17(21)15-19(2)10-5-6-11-19/h3-15H2,1-2H3
InChIKeyLAHFCQPYLQLGOU-UHFFFAOYSA-N
MW324.46 g/mol
LogP4.40
Rot. Bonds8

About 3-[2-(1-methylcyclopentyl)acetyl]oxypropyl 2-(1-methylcyclopentyl)acetate

3-[2-(1-methylcyclopentyl)acetyl]oxypropyl 2-(1-methylcyclopentyl)acetate (PubChem CID 131972587) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is 3-[2-(1-methylcyclopentyl)acetyl]oxypropyl 2-(1-methylcyclopentyl)acetate.

Molecular Properties

Compound Name3-[2-(1-methylcyclopentyl)acetyl]oxypropyl 2-(1-methylcyclopentyl)acetate
PubChem CID131972587
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Name3-[2-(1-methylcyclopentyl)acetyl]oxypropyl 2-(1-methylcyclopentyl)acetate
SMILESCC1(CC(=O)OCCCOC(=O)CC2(C)CCCC2)CCCC1
InChIInChI=1S/C19H32O4/c1-18(8-3-4-9-18)14-16(20)22-12-7-13-23-17(21)15-19(2)10-5-6-11-19/h3-15H2,1-2H3
InChIKeyLAHFCQPYLQLGOU-UHFFFAOYSA-N
XLogP4.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid
CID 71030728
2-(1-methylcyclohexyl)acetohydrazide
CID 131019912
2-(1-methylcyclohexyl)ethyl acetate
CID 70251628
3-(1-hydroxycyclopentanecarbonyl)oxypropyl 1-hydroxycyclopentane-1-carboxylate
CID 71895783
propyl 2-(1-aminocyclobutyl)acetate
CID 79846380
3-phenylpropyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240364
dioctyl 1,2-dimethylcyclohexane-1,2-dicarboxylate
CID 175527356
propyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161128
4-methylpentyl 2-[1-(sulfanylmethyl)cyclopropyl]acetate
CID 107018573
2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240459
3-[2-(1-methylpyrrolidin-1-ium-1-yl)acetyl]oxypropyl 2-(1-methylpyrrolidin-1-ium-1-yl)acetate diiodide
CID 146051074
6-(1-methylcyclohexyl)hexanamide
CID 154219195

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylcyclopentyl)acetyl]oxypropyl 2-(1-methylcyclopentyl)acetate?
The IUPAC name of 3-[2-(1-methylcyclopentyl)acetyl]oxypropyl 2-(1-methylcyclopentyl)acetate (CID 131972587) is 3-[2-(1-methylcyclopentyl)acetyl]oxypropyl 2-(1-methylcyclopentyl)acetate.
What is the SMILES notation for 3-[2-(1-methylcyclopentyl)acetyl]oxypropyl 2-(1-methylcyclopentyl)acetate?
The canonical SMILES for 3-[2-(1-methylcyclopentyl)acetyl]oxypropyl 2-(1-methylcyclopentyl)acetate is CC1(CC(=O)OCCCOC(=O)CC2(C)CCCC2)CCCC1.
What is the InChIKey of 3-[2-(1-methylcyclopentyl)acetyl]oxypropyl 2-(1-methylcyclopentyl)acetate?
The InChIKey is LAHFCQPYLQLGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4/c1-18(8-3-4-9-18)14-16(20)22-12-7-13-23-17(21)15-19(2)10-5-6-11-19/h3-15H2,1-2H3.
What are the key properties of 3-[2-(1-methylcyclopentyl)acetyl]oxypropyl 2-(1-methylcyclopentyl)acetate?
3-[2-(1-methylcyclopentyl)acetyl]oxypropyl 2-(1-methylcyclopentyl)acetate has a molecular weight of 324.46 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylcyclopentyl)acetyl]oxypropyl 2-(1-methylcyclopentyl)acetate is sourced from PubChem (CID 131972587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).