5-(4,8-dimethylnonyl)-5-methyloxolan-2-one

C16H30O2 — CID 567139

IUPAC5-(4,8-dimethylnonyl)-5-methyloxolan-2-one
SMILESCC(C)CCCC(C)CCCC1(C)CCC(=O)O1
InChIInChI=1S/C16H30O2/c1-13(2)7-5-8-14(3)9-6-11-16(4)12-10-15(17)18-16/h13-14H,5-12H2,1-4H3
InChIKeyJQTJGWFLEGISPH-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.71
Rot. Bonds8

About 5-(4,8-dimethylnonyl)-5-methyloxolan-2-one

5-(4,8-dimethylnonyl)-5-methyloxolan-2-one (PubChem CID 567139) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 5-(4,8-dimethylnonyl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-(4,8-dimethylnonyl)-5-methyloxolan-2-one
PubChem CID567139
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name5-(4,8-dimethylnonyl)-5-methyloxolan-2-one
SMILESCC(C)CCCC(C)CCCC1(C)CCC(=O)O1
InChIInChI=1S/C16H30O2/c1-13(2)7-5-8-14(3)9-6-11-16(4)12-10-15(17)18-16/h13-14H,5-12H2,1-4H3
InChIKeyJQTJGWFLEGISPH-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene-5,6-dione
CID 101431997
2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-4,7-dihydro-3H-chromen-6-one
CID 70539095
(2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane
CID 11022381
(2R)-2,5,7,8-tetramethyl-6-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene
CID 11992150
ethane;(6E)-2-methyl-5-methylidene-6-propylidene-2-(4,8,12-trimethyltridecyl)oxane
CID 171629171
2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-6-thiol
CID 154968639
methane;2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 158950682
(2S)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol;hydrochloride
CID 141451505
(2R)-6-methoxy-2,5,7,8-tetramethyl-2-[(4R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene
CID 146823201
CID 101027078
CID 101027078
sulfuric acid;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 175105897
(2R)-2,7,8-trimethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 53393643

Frequently Asked Questions

What is the IUPAC name of 5-(4,8-dimethylnonyl)-5-methyloxolan-2-one?
The IUPAC name of 5-(4,8-dimethylnonyl)-5-methyloxolan-2-one (CID 567139) is 5-(4,8-dimethylnonyl)-5-methyloxolan-2-one.
What is the SMILES notation for 5-(4,8-dimethylnonyl)-5-methyloxolan-2-one?
The canonical SMILES for 5-(4,8-dimethylnonyl)-5-methyloxolan-2-one is CC(C)CCCC(C)CCCC1(C)CCC(=O)O1.
What is the InChIKey of 5-(4,8-dimethylnonyl)-5-methyloxolan-2-one?
The InChIKey is JQTJGWFLEGISPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-13(2)7-5-8-14(3)9-6-11-16(4)12-10-15(17)18-16/h13-14H,5-12H2,1-4H3.
What are the key properties of 5-(4,8-dimethylnonyl)-5-methyloxolan-2-one?
5-(4,8-dimethylnonyl)-5-methyloxolan-2-one has a molecular weight of 254.41 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,8-dimethylnonyl)-5-methyloxolan-2-one is sourced from PubChem (CID 567139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).