[bis(2-hydroxyethyl)amino] undec-10-enoate

C15H29NO4 — CID 175063036

IUPAC[bis(2-hydroxyethyl)amino] undec-10-enoate
SMILESC=CCCCCCCCCC(=O)ON(CCO)CCO
InChIInChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-10-15(19)20-16(11-13-17)12-14-18/h2,17-18H,1,3-14H2
InChIKeyVMMMPNUXKQJSIU-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.04
Rot. Bonds14

About [bis(2-hydroxyethyl)amino] undec-10-enoate

[bis(2-hydroxyethyl)amino] undec-10-enoate (PubChem CID 175063036) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is [bis(2-hydroxyethyl)amino] undec-10-enoate.

Molecular Properties

Compound Name[bis(2-hydroxyethyl)amino] undec-10-enoate
PubChem CID175063036
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name[bis(2-hydroxyethyl)amino] undec-10-enoate
SMILESC=CCCCCCCCCC(=O)ON(CCO)CCO
InChIInChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-10-15(19)20-16(11-13-17)12-14-18/h2,17-18H,1,3-14H2
InChIKeyVMMMPNUXKQJSIU-UHFFFAOYSA-N
XLogP2.04
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl dec-9-enoate
CID 87084822
dec-9-eneperoxoic acid
CID 177164421
2-[bis(2-dec-9-enoyloxyethyl)amino]ethyl dec-9-enoate
CID 140814246
2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
sulfanyl undec-10-enoate
CID 87067735
silyl hept-6-enoate
CID 154077289
[bis(2-hydroxyethyl)amino] (Z,12R)-12-hydroxyoctadec-9-enoate
CID 156538832
but-3-enyl hept-6-enoate
CID 86101121
hexane-1,6-diol;undec-10-enoic acid
CID 87494369
bis(pent-4-enyl) decanedioate
CID 91694638
tricosa-1,22-dien-12-one
CID 86210796
dimethyl octadec-9-enedioate;methyl dec-9-enoate
CID 159471002

Frequently Asked Questions

What is the IUPAC name of [bis(2-hydroxyethyl)amino] undec-10-enoate?
The IUPAC name of [bis(2-hydroxyethyl)amino] undec-10-enoate (CID 175063036) is [bis(2-hydroxyethyl)amino] undec-10-enoate.
What is the SMILES notation for [bis(2-hydroxyethyl)amino] undec-10-enoate?
The canonical SMILES for [bis(2-hydroxyethyl)amino] undec-10-enoate is C=CCCCCCCCCC(=O)ON(CCO)CCO.
What is the InChIKey of [bis(2-hydroxyethyl)amino] undec-10-enoate?
The InChIKey is VMMMPNUXKQJSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-10-15(19)20-16(11-13-17)12-14-18/h2,17-18H,1,3-14H2.
What are the key properties of [bis(2-hydroxyethyl)amino] undec-10-enoate?
[bis(2-hydroxyethyl)amino] undec-10-enoate has a molecular weight of 287.40 g/mol, XLogP of 2.04, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(2-hydroxyethyl)amino] undec-10-enoate is sourced from PubChem (CID 175063036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).