1-(2,5-dimethoxyoxolan-2-yl)tridecan-1-one

C19H36O4 — CID 15721340

IUPAC1-(2,5-dimethoxyoxolan-2-yl)tridecan-1-one
SMILESCCCCCCCCCCCCC(=O)C1(OC)CCC(OC)O1
InChIInChI=1S/C19H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-17(20)19(22-3)16-15-18(21-2)23-19/h18H,4-16H2,1-3H3
InChIKeyCTYHALBCGBRIAN-UHFFFAOYSA-N
MW328.49 g/mol
LogP4.99
Rot. Bonds14

About 1-(2,5-dimethoxyoxolan-2-yl)tridecan-1-one

1-(2,5-dimethoxyoxolan-2-yl)tridecan-1-one (PubChem CID 15721340) has the molecular formula C19H36O4 and a molecular weight of 328.49 g/mol. Its IUPAC name is 1-(2,5-dimethoxyoxolan-2-yl)tridecan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyoxolan-2-yl)tridecan-1-one
PubChem CID15721340
Molecular FormulaC19H36O4
Molecular Weight328.49 g/mol
Exact Mass328.26
IUPAC Name1-(2,5-dimethoxyoxolan-2-yl)tridecan-1-one
SMILESCCCCCCCCCCCCC(=O)C1(OC)CCC(OC)O1
InChIInChI=1S/C19H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-17(20)19(22-3)16-15-18(21-2)23-19/h18H,4-16H2,1-3H3
InChIKeyCTYHALBCGBRIAN-UHFFFAOYSA-N
XLogP4.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 54.99
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

(2S,5R)-2-methoxy-2-methyl-5-undecyloxolan-3-one
CID 11119635
2,5-Dimethoxytetrahydrofuryl-3-butanone
CID 44719217
2-Hexadecanone, 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-
CID 537250
1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]-2-heptadecanone
CID 538731
1,1-Diethoxyoctan-2-one
CID 10680251
1-(2,5-Dimethoxyoxolan-2-yl)heptadecan-1-one
CID 14204943
1-(2,5-Dimethoxyoxolan-2-yl)pentan-1-one
CID 15721336
1-(2,5-Dimethoxyoxolan-2-yl)heptan-1-one
CID 15721337
1-(2,5-Dimethoxyoxolan-2-yl)nonan-1-one
CID 15721338
1-(2,5-Dimethoxyoxolan-2-yl)pentadecan-1-one
CID 15721341
2-Methoxy-2-methyl-5-undecyloxolan-3-one
CID 85405640
(1-Octadecanoyloxy-2-oxopropyl) octadecanoate
CID 53790509

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyoxolan-2-yl)tridecan-1-one?
The IUPAC name of 1-(2,5-dimethoxyoxolan-2-yl)tridecan-1-one (CID 15721340) is 1-(2,5-dimethoxyoxolan-2-yl)tridecan-1-one.
What is the SMILES notation for 1-(2,5-dimethoxyoxolan-2-yl)tridecan-1-one?
The canonical SMILES for 1-(2,5-dimethoxyoxolan-2-yl)tridecan-1-one is CCCCCCCCCCCCC(=O)C1(OC)CCC(OC)O1.
What is the InChIKey of 1-(2,5-dimethoxyoxolan-2-yl)tridecan-1-one?
The InChIKey is CTYHALBCGBRIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-17(20)19(22-3)16-15-18(21-2)23-19/h18H,4-16H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyoxolan-2-yl)tridecan-1-one?
1-(2,5-dimethoxyoxolan-2-yl)tridecan-1-one has a molecular weight of 328.49 g/mol, XLogP of 4.99, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyoxolan-2-yl)tridecan-1-one is sourced from PubChem (CID 15721340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).