methyl 5-methyl-6-propan-2-yloxyhexanoate

C11H22O3 — CID 174386418

IUPACmethyl 5-methyl-6-propan-2-yloxyhexanoate
SMILESCOC(=O)CCCC(C)COC(C)C
InChIInChI=1S/C11H22O3/c1-9(2)14-8-10(3)6-5-7-11(12)13-4/h9-10H,5-8H2,1-4H3
InChIKeyKIYOGWXQIQZSCB-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.39
Rot. Bonds7

About methyl 5-methyl-6-propan-2-yloxyhexanoate

methyl 5-methyl-6-propan-2-yloxyhexanoate (PubChem CID 174386418) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is methyl 5-methyl-6-propan-2-yloxyhexanoate.

Molecular Properties

Compound Namemethyl 5-methyl-6-propan-2-yloxyhexanoate
PubChem CID174386418
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Namemethyl 5-methyl-6-propan-2-yloxyhexanoate
SMILESCOC(=O)CCCC(C)COC(C)C
InChIInChI=1S/C11H22O3/c1-9(2)14-8-10(3)6-5-7-11(12)13-4/h9-10H,5-8H2,1-4H3
InChIKeyKIYOGWXQIQZSCB-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (5R)-5-methyl-8-oxononanoate
CID 56834727
dimethyl 4,9-dimethyldodecanedioate
CID 102494316
dimethyl 4-methyltetradecanedioate
CID 87116988
dimethyl 3-methylnonadecanedioate
CID 89439795
methyl (6S)-7-amino-6-methylheptanoate
CID 163456420
methyl (18R)-18-methylicosanoate
CID 102237844
methyl 23-methylpentacosanoate
CID 15047975
methyl 11-methyltridecanoate
CID 14122942
methyl 3-propan-2-yloxypropanoate
CID 18469515
methyl (5S,6R)-5,6-dimethyloctanoate
CID 59216932
dimethyl 4-methylheptanedioate
CID 521222
methyl 17-methyltetracosanoate
CID 91697154

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-6-propan-2-yloxyhexanoate?
The IUPAC name of methyl 5-methyl-6-propan-2-yloxyhexanoate (CID 174386418) is methyl 5-methyl-6-propan-2-yloxyhexanoate.
What is the SMILES notation for methyl 5-methyl-6-propan-2-yloxyhexanoate?
The canonical SMILES for methyl 5-methyl-6-propan-2-yloxyhexanoate is COC(=O)CCCC(C)COC(C)C.
What is the InChIKey of methyl 5-methyl-6-propan-2-yloxyhexanoate?
The InChIKey is KIYOGWXQIQZSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-9(2)14-8-10(3)6-5-7-11(12)13-4/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 5-methyl-6-propan-2-yloxyhexanoate?
methyl 5-methyl-6-propan-2-yloxyhexanoate has a molecular weight of 202.29 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-6-propan-2-yloxyhexanoate is sourced from PubChem (CID 174386418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).