methyl 8-(5-formyloxolan-2-yl)octanoate

C14H24O4 — CID 54550798

IUPACmethyl 8-(5-formyloxolan-2-yl)octanoate
SMILESCOC(=O)CCCCCCCC1CCC(C=O)O1
InChIInChI=1S/C14H24O4/c1-17-14(16)8-6-4-2-3-5-7-12-9-10-13(11-15)18-12/h11-13H,2-10H2,1H3
InChIKeyZJTPMIDURCBBTK-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.64
Rot. Bonds9

About methyl 8-(5-formyloxolan-2-yl)octanoate

methyl 8-(5-formyloxolan-2-yl)octanoate (PubChem CID 54550798) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is methyl 8-(5-formyloxolan-2-yl)octanoate.

Molecular Properties

Compound Namemethyl 8-(5-formyloxolan-2-yl)octanoate
PubChem CID54550798
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namemethyl 8-(5-formyloxolan-2-yl)octanoate
SMILESCOC(=O)CCCCCCCC1CCC(C=O)O1
InChIInChI=1S/C14H24O4/c1-17-14(16)8-6-4-2-3-5-7-12-9-10-13(11-15)18-12/h11-13H,2-10H2,1H3
InChIKeyZJTPMIDURCBBTK-UHFFFAOYSA-N
XLogP2.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 11-[(2S,5S)-5-propyloxolan-2-yl]undecanoate
CID 71389588
methyl 6-(oxiran-2-yl)hexanoate
CID 71401806
methyl 6-(3-formyloxiran-2-yl)hexanoate
CID 156679498
methyl 4-(6-heptadecyloxan-2-yl)butanoate
CID 543638
methyl 12-[3-(12-methoxy-12-oxododecyl)oxiran-2-yl]dodecanoate
CID 101103318
methyl 9-hydroxy-9-(5-pentyloxolan-2-yl)nonanoate
CID 54270622
methyl 8-[4-(2-methoxy-2-oxoethyl)cyclohexyl]octanoate
CID 4068552
N-[(5-formyloxolan-2-yl)methyl]acetamide
CID 10942891
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
methyl 7-(dioxolan-4-yl)heptanoate
CID 88634184

Frequently Asked Questions

What is the IUPAC name of methyl 8-(5-formyloxolan-2-yl)octanoate?
The IUPAC name of methyl 8-(5-formyloxolan-2-yl)octanoate (CID 54550798) is methyl 8-(5-formyloxolan-2-yl)octanoate.
What is the SMILES notation for methyl 8-(5-formyloxolan-2-yl)octanoate?
The canonical SMILES for methyl 8-(5-formyloxolan-2-yl)octanoate is COC(=O)CCCCCCCC1CCC(C=O)O1.
What is the InChIKey of methyl 8-(5-formyloxolan-2-yl)octanoate?
The InChIKey is ZJTPMIDURCBBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-17-14(16)8-6-4-2-3-5-7-12-9-10-13(11-15)18-12/h11-13H,2-10H2,1H3.
What are the key properties of methyl 8-(5-formyloxolan-2-yl)octanoate?
methyl 8-(5-formyloxolan-2-yl)octanoate has a molecular weight of 256.34 g/mol, XLogP of 2.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(5-formyloxolan-2-yl)octanoate is sourced from PubChem (CID 54550798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).