methyl 6-(oxan-2-yloxy)hexanoate

C12H22O4 — CID 10955377

IUPACmethyl 6-(oxan-2-yloxy)hexanoate
SMILESCOC(=O)CCCCCOC1CCCCO1
InChIInChI=1S/C12H22O4/c1-14-11(13)7-3-2-5-9-15-12-8-4-6-10-16-12/h12H,2-10H2,1H3
InChIKeyRXIZPTUJJOZXSR-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.26
Rot. Bonds7

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

methyl 6-(oxan-2-yloxy)hexanoate (PubChem CID 10955377) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is methyl 6-(oxan-2-yloxy)hexanoate.

Molecular Properties

Compound Namemethyl 6-(oxan-2-yloxy)hexanoate
PubChem CID10955377
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Namemethyl 6-(oxan-2-yloxy)hexanoate
SMILESCOC(=O)CCCCCOC1CCCCO1
InChIInChI=1S/C12H22O4/c1-14-11(13)7-3-2-5-9-15-12-8-4-6-10-16-12/h12H,2-10H2,1H3
InChIKeyRXIZPTUJJOZXSR-UHFFFAOYSA-N
XLogP2.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.26
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

Ethyl 6-(2-tetrahydropyranyloxy)hexanoate
CID 357800
6-(2-Tetrahydropyranyloxy)hexanal
CID 10867341
Methyl 6,6-dimethoxyhexanoate
CID 11041551
Methyl 3,5-dimethyl-6-(tetrahydro-2h-pyran-2-yloxy)-hexanoate
CID 129866516
6-(Oxan-2-yloxy)hexanoic acid
CID 13414099
Methyl 9-tetrahydropyranyloxynonanoate
CID 14077879
1,4-Dioxan-2-yl hexanoate
CID 122391586
Ethane-diol dicaproate
CID 129727757
Propanediol dicaproate
CID 129727771
Hexanediol dibutyrate
CID 129728451
Methyl 4-(tetrahydro-2H-pyran-2-yloxy)butanoate
CID 568187
Methyl 4-[4,6-bis(4-methoxy-4-oxobutyl)-1,3,5-trioxan-2-yl]butanoate
CID 11675493

Frequently Asked Questions

What is the IUPAC name of methyl 6-(oxan-2-yloxy)hexanoate?
The IUPAC name of methyl 6-(oxan-2-yloxy)hexanoate (CID 10955377) is methyl 6-(oxan-2-yloxy)hexanoate.
What is the SMILES notation for methyl 6-(oxan-2-yloxy)hexanoate?
The canonical SMILES for methyl 6-(oxan-2-yloxy)hexanoate is COC(=O)CCCCCOC1CCCCO1.
What is the InChIKey of methyl 6-(oxan-2-yloxy)hexanoate?
The InChIKey is RXIZPTUJJOZXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-14-11(13)7-3-2-5-9-15-12-8-4-6-10-16-12/h12H,2-10H2,1H3.
What are the key properties of methyl 6-(oxan-2-yloxy)hexanoate?
methyl 6-(oxan-2-yloxy)hexanoate has a molecular weight of 230.30 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(oxan-2-yloxy)hexanoate is sourced from PubChem (CID 10955377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).