methyl 6-(oxolan-2-yloxy)hexanoate

C11H20O4 — CID 11790607

IUPACmethyl 6-(oxolan-2-yloxy)hexanoate
SMILESCOC(=O)CCCCCOC1CCCO1
InChIInChI=1S/C11H20O4/c1-13-10(12)6-3-2-4-8-14-11-7-5-9-15-11/h11H,2-9H2,1H3
InChIKeyBBIVOCQMORGISJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.87
Rot. Bonds7

About methyl 6-(oxolan-2-yloxy)hexanoate

methyl 6-(oxolan-2-yloxy)hexanoate (PubChem CID 11790607) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 6-(oxolan-2-yloxy)hexanoate.

Molecular Properties

Compound Namemethyl 6-(oxolan-2-yloxy)hexanoate
PubChem CID11790607
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namemethyl 6-(oxolan-2-yloxy)hexanoate
SMILESCOC(=O)CCCCCOC1CCCO1
InChIInChI=1S/C11H20O4/c1-13-10(12)6-3-2-4-8-14-11-7-5-9-15-11/h11H,2-9H2,1H3
InChIKeyBBIVOCQMORGISJ-UHFFFAOYSA-N
XLogP1.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.87
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

Methyl 6,6-dimethoxyhexanoate
CID 11041551
1-(Acetyloxy)ethyl heptanoate
CID 53422207
Ethoxycarbonyl hexanoate
CID 12550025
Ethyl 5-(1,3-dioxolan-2-yl)pentanoate
CID 12956803
6,6-Diethoxyhexanoic acid
CID 86175570
Propane adipate
CID 129714132
Ethane-diol dicaproate
CID 129727757
Propanediol dicaproate
CID 129727771
Hexanediol dibutyrate
CID 129728451
Ethyl 2-ethyl-1,3-dioxolane-2-propanoate
CID 14334689
1,3-Dioxolane-2-pentanoic acid, methyl ester
CID 11298406
Ethyl 6-(1,3-dioxolan-2-yl)hexanoate
CID 12956804

Frequently Asked Questions

What is the IUPAC name of methyl 6-(oxolan-2-yloxy)hexanoate?
The IUPAC name of methyl 6-(oxolan-2-yloxy)hexanoate (CID 11790607) is methyl 6-(oxolan-2-yloxy)hexanoate.
What is the SMILES notation for methyl 6-(oxolan-2-yloxy)hexanoate?
The canonical SMILES for methyl 6-(oxolan-2-yloxy)hexanoate is COC(=O)CCCCCOC1CCCO1.
What is the InChIKey of methyl 6-(oxolan-2-yloxy)hexanoate?
The InChIKey is BBIVOCQMORGISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-13-10(12)6-3-2-4-8-14-11-7-5-9-15-11/h11H,2-9H2,1H3.
What are the key properties of methyl 6-(oxolan-2-yloxy)hexanoate?
methyl 6-(oxolan-2-yloxy)hexanoate has a molecular weight of 216.28 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(oxolan-2-yloxy)hexanoate is sourced from PubChem (CID 11790607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).