methyl 9-methoxycarbonyloxyundec-10-enoate

C14H24O5 — CID 132916817

IUPACmethyl 9-methoxycarbonyloxyundec-10-enoate
SMILESC=CC(CCCCCCCC(=O)OC)OC(=O)OC
InChIInChI=1S/C14H24O5/c1-4-12(19-14(16)18-3)10-8-6-5-7-9-11-13(15)17-2/h4,12H,1,5-11H2,2-3H3
InChIKeyWAUZFSNAQCXFPU-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.23
Rot. Bonds10

About methyl 9-methoxycarbonyloxyundec-10-enoate

methyl 9-methoxycarbonyloxyundec-10-enoate (PubChem CID 132916817) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 9-methoxycarbonyloxyundec-10-enoate.

Molecular Properties

Compound Namemethyl 9-methoxycarbonyloxyundec-10-enoate
PubChem CID132916817
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Namemethyl 9-methoxycarbonyloxyundec-10-enoate
SMILESC=CC(CCCCCCCC(=O)OC)OC(=O)OC
InChIInChI=1S/C14H24O5/c1-4-12(19-14(16)18-3)10-8-6-5-7-9-11-13(15)17-2/h4,12H,1,5-11H2,2-3H3
InChIKeyWAUZFSNAQCXFPU-UHFFFAOYSA-N
XLogP3.23
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 9-methoxycarbonyloxyundec-10-enoate?
The IUPAC name of methyl 9-methoxycarbonyloxyundec-10-enoate (CID 132916817) is methyl 9-methoxycarbonyloxyundec-10-enoate.
What is the SMILES notation for methyl 9-methoxycarbonyloxyundec-10-enoate?
The canonical SMILES for methyl 9-methoxycarbonyloxyundec-10-enoate is C=CC(CCCCCCCC(=O)OC)OC(=O)OC.
What is the InChIKey of methyl 9-methoxycarbonyloxyundec-10-enoate?
The InChIKey is WAUZFSNAQCXFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-4-12(19-14(16)18-3)10-8-6-5-7-9-11-13(15)17-2/h4,12H,1,5-11H2,2-3H3.
What are the key properties of methyl 9-methoxycarbonyloxyundec-10-enoate?
methyl 9-methoxycarbonyloxyundec-10-enoate has a molecular weight of 272.34 g/mol, XLogP of 3.23, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-methoxycarbonyloxyundec-10-enoate is sourced from PubChem (CID 132916817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).