3-(2-cyclohexyloxypropyl)-4-methyloxolane-2,5-dione

C14H22O4 — CID 23554034

IUPAC3-(2-cyclohexyloxypropyl)-4-methyloxolane-2,5-dione
SMILESCC(CC1C(=O)OC(=O)C1C)OC1CCCCC1
InChIInChI=1S/C14H22O4/c1-9(17-11-6-4-3-5-7-11)8-12-10(2)13(15)18-14(12)16/h9-12H,3-8H2,1-2H3
InChIKeyXRYLDNUTZNORGH-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.45
Rot. Bonds4

About 3-(2-cyclohexyloxypropyl)-4-methyloxolane-2,5-dione

3-(2-cyclohexyloxypropyl)-4-methyloxolane-2,5-dione (PubChem CID 23554034) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(2-cyclohexyloxypropyl)-4-methyloxolane-2,5-dione.

Molecular Properties

Compound Name3-(2-cyclohexyloxypropyl)-4-methyloxolane-2,5-dione
PubChem CID23554034
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name3-(2-cyclohexyloxypropyl)-4-methyloxolane-2,5-dione
SMILESCC(CC1C(=O)OC(=O)C1C)OC1CCCCC1
InChIInChI=1S/C14H22O4/c1-9(17-11-6-4-3-5-7-11)8-12-10(2)13(15)18-14(12)16/h9-12H,3-8H2,1-2H3
InChIKeyXRYLDNUTZNORGH-UHFFFAOYSA-N
XLogP2.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-Furanacetic acid, tetrahydro-2-oxo-5-(2-propynyloxymethyl)-, ethyl ester
CID 50374
Cadopherone C
CID 139590913
Ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate
CID 75478875
3-(2,5-Dioxooxolan-3-yl)propyl butanoate
CID 14871738
1-O-cyclohexyl 4-O-(2,2,2-trifluoroethyl) 2-(2-acetyloxy-2-methylpropyl)-3-methylbutanedioate
CID 57683854
5-Acetoxy-3-methyl-hexanoic acid, methyl ester
CID 560346
2-Carboxymethyl-4-pentanolide
CID 12008548
4-Oxadecylsuccinic anhydride
CID 23268468
2-(5-Amyloxymethyl-2-oxotetrahydro-3-furyl)-propanoic acid
CID 129741842
2-(2-Oxo-5-propoxymethyltetrahydro-3-furyl)-propanoic acid
CID 129742433
CID 139211726
CID 139211726
Methyl 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetate
CID 12652455

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexyloxypropyl)-4-methyloxolane-2,5-dione?
The IUPAC name of 3-(2-cyclohexyloxypropyl)-4-methyloxolane-2,5-dione (CID 23554034) is 3-(2-cyclohexyloxypropyl)-4-methyloxolane-2,5-dione.
What is the SMILES notation for 3-(2-cyclohexyloxypropyl)-4-methyloxolane-2,5-dione?
The canonical SMILES for 3-(2-cyclohexyloxypropyl)-4-methyloxolane-2,5-dione is CC(CC1C(=O)OC(=O)C1C)OC1CCCCC1.
What is the InChIKey of 3-(2-cyclohexyloxypropyl)-4-methyloxolane-2,5-dione?
The InChIKey is XRYLDNUTZNORGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-9(17-11-6-4-3-5-7-11)8-12-10(2)13(15)18-14(12)16/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-(2-cyclohexyloxypropyl)-4-methyloxolane-2,5-dione?
3-(2-cyclohexyloxypropyl)-4-methyloxolane-2,5-dione has a molecular weight of 254.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyloxypropyl)-4-methyloxolane-2,5-dione is sourced from PubChem (CID 23554034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).