methyl 6-(3-formyloxiran-2-yl)hexanoate

C10H16O4 — CID 156679498

IUPACmethyl 6-(3-formyloxiran-2-yl)hexanoate
SMILESCOC(=O)CCCCCC1OC1C=O
InChIInChI=1S/C10H16O4/c1-13-10(12)6-4-2-3-5-8-9(7-11)14-8/h7-9H,2-6H2,1H3
InChIKeyGQMPSRKXFDSJEE-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.08
Rot. Bonds7

About methyl 6-(3-formyloxiran-2-yl)hexanoate

methyl 6-(3-formyloxiran-2-yl)hexanoate (PubChem CID 156679498) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl 6-(3-formyloxiran-2-yl)hexanoate.

Molecular Properties

Compound Namemethyl 6-(3-formyloxiran-2-yl)hexanoate
PubChem CID156679498
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl 6-(3-formyloxiran-2-yl)hexanoate
SMILESCOC(=O)CCCCCC1OC1C=O
InChIInChI=1S/C10H16O4/c1-13-10(12)6-4-2-3-5-8-9(7-11)14-8/h7-9H,2-6H2,1H3
InChIKeyGQMPSRKXFDSJEE-UHFFFAOYSA-N
XLogP1.08
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.08
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

methyl 12-[3-(12-methoxy-12-oxododecyl)oxiran-2-yl]dodecanoate
CID 101103318
methyl 9-[(2R,3R)-3-[(1E,5Z)-octa-1,5-dienyl]oxiran-2-yl]nonanoate
CID 11976915
methyl 16-[(2S,3R)-3-ethyloxiran-2-yl]hexadecanoate
CID 53309116
methyl 8-[(2S,3R)-3-[(E,3R)-3-hydroxyoct-1-enyl]oxiran-2-yl]octanoate
CID 95049038
methyl (E,9R)-9-hydroxy-11-[(2S,3S)-3-pentyloxiran-2-yl]undec-10-enoate
CID 13234569
methyl 8-[3-(8-trimethylsilyloxyoctyl)oxiran-2-yl]octanoate
CID 554388
methyl 8-[(4R,5R)-2,2-dimethyl-5-(6-oxohexyl)-1,3-dioxolan-4-yl]octanoate
CID 10882822
(2R,3R)-3-hexyloxirane-2-carbaldehyde
CID 101237658
(2R,3S)-3-nonyloxirane-2-carbaldehyde
CID 11138087
methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-8-enoate
CID 87560636
methyl 8-(5-formyloxolan-2-yl)octanoate
CID 54550798
dimethyl dotriacontanedioate
CID 14325565

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-formyloxiran-2-yl)hexanoate?
The IUPAC name of methyl 6-(3-formyloxiran-2-yl)hexanoate (CID 156679498) is methyl 6-(3-formyloxiran-2-yl)hexanoate.
What is the SMILES notation for methyl 6-(3-formyloxiran-2-yl)hexanoate?
The canonical SMILES for methyl 6-(3-formyloxiran-2-yl)hexanoate is COC(=O)CCCCCC1OC1C=O.
What is the InChIKey of methyl 6-(3-formyloxiran-2-yl)hexanoate?
The InChIKey is GQMPSRKXFDSJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-13-10(12)6-4-2-3-5-8-9(7-11)14-8/h7-9H,2-6H2,1H3.
What are the key properties of methyl 6-(3-formyloxiran-2-yl)hexanoate?
methyl 6-(3-formyloxiran-2-yl)hexanoate has a molecular weight of 200.23 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-formyloxiran-2-yl)hexanoate is sourced from PubChem (CID 156679498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).