azane;2-methoxyethyl undec-10-enoate

C14H29NO3 — CID 174560084

IUPACazane;2-methoxyethyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCCOC.N
InChIInChI=1S/C14H26O3.H3N/c1-3-4-5-6-7-8-9-10-11-14(15)17-13-12-16-2;/h3H,1,4-13H2,2H3;1H3
InChIKeyBQOQCZZUVVGUBX-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.64
Rot. Bonds12

About azane;2-methoxyethyl undec-10-enoate

azane;2-methoxyethyl undec-10-enoate (PubChem CID 174560084) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is azane;2-methoxyethyl undec-10-enoate.

Molecular Properties

Compound Nameazane;2-methoxyethyl undec-10-enoate
PubChem CID174560084
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Nameazane;2-methoxyethyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCCOC.N
InChIInChI=1S/C14H26O3.H3N/c1-3-4-5-6-7-8-9-10-11-14(15)17-13-12-16-2;/h3H,1,4-13H2,2H3;1H3
InChIKeyBQOQCZZUVVGUBX-UHFFFAOYSA-N
XLogP3.64
TPSA70.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
bis(2-methoxyethyl) octadec-9-enedioate
CID 123139794
but-3-enyl hept-6-enoate
CID 86101121
bis(pent-4-enyl) decanedioate
CID 91694638
2-hydroxyethyl dec-9-enoate
CID 87084822
hept-6-enyl nonanoate
CID 146588194
heptyl hept-6-enoate
CID 129220829
hexyl oct-7-enoate
CID 91748282
hex-5-enyl decanoate
CID 166881880
hept-6-enyl hexacosanoate
CID 102118795
undec-10-enyl 7-undec-10-enoxyheptanoate
CID 140771622
ethane;hexyl dec-9-enoate
CID 142461660

Frequently Asked Questions

What is the IUPAC name of azane;2-methoxyethyl undec-10-enoate?
The IUPAC name of azane;2-methoxyethyl undec-10-enoate (CID 174560084) is azane;2-methoxyethyl undec-10-enoate.
What is the SMILES notation for azane;2-methoxyethyl undec-10-enoate?
The canonical SMILES for azane;2-methoxyethyl undec-10-enoate is C=CCCCCCCCCC(=O)OCCOC.N.
What is the InChIKey of azane;2-methoxyethyl undec-10-enoate?
The InChIKey is BQOQCZZUVVGUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3.H3N/c1-3-4-5-6-7-8-9-10-11-14(15)17-13-12-16-2;/h3H,1,4-13H2,2H3;1H3.
What are the key properties of azane;2-methoxyethyl undec-10-enoate?
azane;2-methoxyethyl undec-10-enoate has a molecular weight of 259.39 g/mol, XLogP of 3.64, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methoxyethyl undec-10-enoate is sourced from PubChem (CID 174560084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).