decan-2-yl 8-(2-hydroxyethylamino)octanoate

C20H41NO3 — CID 140916939

IUPACdecan-2-yl 8-(2-hydroxyethylamino)octanoate
SMILESCCCCCCCCC(C)OC(=O)CCCCCCCNCCO
InChIInChI=1S/C20H41NO3/c1-3-4-5-6-8-11-14-19(2)24-20(23)15-12-9-7-10-13-16-21-17-18-22/h19,21-22H,3-18H2,1-2H3
InChIKeyVXDSXFDDJWEXGX-UHFFFAOYSA-N
MW343.55 g/mol
LogP4.59
Rot. Bonds18

About decan-2-yl 8-(2-hydroxyethylamino)octanoate

decan-2-yl 8-(2-hydroxyethylamino)octanoate (PubChem CID 140916939) has the molecular formula C20H41NO3 and a molecular weight of 343.55 g/mol. Its IUPAC name is decan-2-yl 8-(2-hydroxyethylamino)octanoate.

Molecular Properties

Compound Namedecan-2-yl 8-(2-hydroxyethylamino)octanoate
PubChem CID140916939
Molecular FormulaC20H41NO3
Molecular Weight343.55 g/mol
Exact Mass343.31
IUPAC Namedecan-2-yl 8-(2-hydroxyethylamino)octanoate
SMILESCCCCCCCCC(C)OC(=O)CCCCCCCNCCO
InChIInChI=1S/C20H41NO3/c1-3-4-5-6-8-11-14-19(2)24-20(23)15-12-9-7-10-13-16-21-17-18-22/h19,21-22H,3-18H2,1-2H3
InChIKeyVXDSXFDDJWEXGX-UHFFFAOYSA-N
XLogP4.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.55
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptadecan-2-yl tetradecanoate
CID 54293612
nonan-2-yl undecanoate
CID 87368690
pentadecan-2-yl icosanoate
CID 162895127
henicosan-2-yl hexadecanoate
CID 87097147
octatriacontan-2-yl dodecanoate
CID 174214599
decan-2-yl 8-(9-heptadecan-9-yloxynonylamino)octanoate
CID 153370669
4-hydroxybutan-2-yl octadecanoate
CID 71324433
dioctan-2-yl pentanedioate
CID 71404705
CID 165051980
CID 165051980
decan-2-yl tetradecanoate;bis(propane-1,2,3-triol)
CID 174472710
2-octyldecyl 7-(2-hydroxyethylamino)heptanoate
CID 169317647
tetradecan-2-yl 6-bromohexanoate
CID 534466

Frequently Asked Questions

What is the IUPAC name of decan-2-yl 8-(2-hydroxyethylamino)octanoate?
The IUPAC name of decan-2-yl 8-(2-hydroxyethylamino)octanoate (CID 140916939) is decan-2-yl 8-(2-hydroxyethylamino)octanoate.
What is the SMILES notation for decan-2-yl 8-(2-hydroxyethylamino)octanoate?
The canonical SMILES for decan-2-yl 8-(2-hydroxyethylamino)octanoate is CCCCCCCCC(C)OC(=O)CCCCCCCNCCO.
What is the InChIKey of decan-2-yl 8-(2-hydroxyethylamino)octanoate?
The InChIKey is VXDSXFDDJWEXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO3/c1-3-4-5-6-8-11-14-19(2)24-20(23)15-12-9-7-10-13-16-21-17-18-22/h19,21-22H,3-18H2,1-2H3.
What are the key properties of decan-2-yl 8-(2-hydroxyethylamino)octanoate?
decan-2-yl 8-(2-hydroxyethylamino)octanoate has a molecular weight of 343.55 g/mol, XLogP of 4.59, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decan-2-yl 8-(2-hydroxyethylamino)octanoate is sourced from PubChem (CID 140916939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).