(4,4-dimethyl-5-oxooxolan-2-yl)methyl 2-propyldec-6-enoate

C20H34O4 — CID 151261408

IUPAC(4,4-dimethyl-5-oxooxolan-2-yl)methyl 2-propyldec-6-enoate
SMILESCCCC=CCCCC(CCC)C(=O)OCC1CC(C)(C)C(=O)O1
InChIInChI=1S/C20H34O4/c1-5-7-8-9-10-11-13-16(12-6-2)18(21)23-15-17-14-20(3,4)19(22)24-17/h8-9,16-17H,5-7,10-15H2,1-4H3
InChIKeyNUKOZJKXQJOHIK-UHFFFAOYSA-N
MW338.49 g/mol
LogP4.81
Rot. Bonds11

About (4,4-dimethyl-5-oxooxolan-2-yl)methyl 2-propyldec-6-enoate

(4,4-dimethyl-5-oxooxolan-2-yl)methyl 2-propyldec-6-enoate (PubChem CID 151261408) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is (4,4-dimethyl-5-oxooxolan-2-yl)methyl 2-propyldec-6-enoate.

Molecular Properties

Compound Name(4,4-dimethyl-5-oxooxolan-2-yl)methyl 2-propyldec-6-enoate
PubChem CID151261408
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name(4,4-dimethyl-5-oxooxolan-2-yl)methyl 2-propyldec-6-enoate
SMILESCCCC=CCCCC(CCC)C(=O)OCC1CC(C)(C)C(=O)O1
InChIInChI=1S/C20H34O4/c1-5-7-8-9-10-11-13-16(12-6-2)18(21)23-15-17-14-20(3,4)19(22)24-17/h8-9,16-17H,5-7,10-15H2,1-4H3
InChIKeyNUKOZJKXQJOHIK-UHFFFAOYSA-N
XLogP4.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S)-5-(methoxymethyl)-3-[(Z)-octadec-13-en-9,11-diynyl]oxolan-2-one
CID 54589672
(3R,5S)-5-(methoxymethyl)-3-[(13Z)-octadeca-13,17-dien-9,11-diynyl]oxolan-2-one
CID 54589671
5-Dec-9-enyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one
CID 162957253
(3R,5S)-5-(methoxymethyl)-3-octadec-13-en-9,11-diynyloxolan-2-one
CID 162986171
[2-Acetyloxy-3-(5-dec-9-enyl-2-oxooxolan-3-yl)propyl] acetate
CID 163027359
5-Dec-9-enyl-3-(2,3-dimethoxypropyl)oxolan-2-one
CID 162820198
(3R,5S)-5-(methoxymethyl)-3-octadeca-13,17-dien-9,11-diynyloxolan-2-one
CID 162868213
[(2S,3S,4S)-2-methyl-4-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]-5-oxooxolan-3-yl] butanoate
CID 23428328
[(2S,3S,4S)-2-methyl-4-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]-5-oxooxolan-3-yl] acetate
CID 23428329
[(2S)-5-oxooxolan-2-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate
CID 9929675
[3-Methyl-1-(4-methyl-5-oxooxolan-2-yl)butyl] cyclohex-3-ene-1-carboxylate
CID 66596127
[3-methyl-1-(4-methyl-5-oxooxolan-2-yl)butyl] (Z)-2,7-dimethyloct-4-enoate
CID 67952221

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-5-oxooxolan-2-yl)methyl 2-propyldec-6-enoate?
The IUPAC name of (4,4-dimethyl-5-oxooxolan-2-yl)methyl 2-propyldec-6-enoate (CID 151261408) is (4,4-dimethyl-5-oxooxolan-2-yl)methyl 2-propyldec-6-enoate.
What is the SMILES notation for (4,4-dimethyl-5-oxooxolan-2-yl)methyl 2-propyldec-6-enoate?
The canonical SMILES for (4,4-dimethyl-5-oxooxolan-2-yl)methyl 2-propyldec-6-enoate is CCCC=CCCCC(CCC)C(=O)OCC1CC(C)(C)C(=O)O1.
What is the InChIKey of (4,4-dimethyl-5-oxooxolan-2-yl)methyl 2-propyldec-6-enoate?
The InChIKey is NUKOZJKXQJOHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4/c1-5-7-8-9-10-11-13-16(12-6-2)18(21)23-15-17-14-20(3,4)19(22)24-17/h8-9,16-17H,5-7,10-15H2,1-4H3.
What are the key properties of (4,4-dimethyl-5-oxooxolan-2-yl)methyl 2-propyldec-6-enoate?
(4,4-dimethyl-5-oxooxolan-2-yl)methyl 2-propyldec-6-enoate has a molecular weight of 338.49 g/mol, XLogP of 4.81, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-5-oxooxolan-2-yl)methyl 2-propyldec-6-enoate is sourced from PubChem (CID 151261408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).