methyl 6-(9-hydroxynonoxy)hexanoate

C16H32O4 — CID 139893543

IUPACmethyl 6-(9-hydroxynonoxy)hexanoate
SMILESCOC(=O)CCCCCOCCCCCCCCCO
InChIInChI=1S/C16H32O4/c1-19-16(18)12-8-7-11-15-20-14-10-6-4-2-3-5-9-13-17/h17H,2-15H2,1H3
InChIKeyCFAGCMVPNXDHPO-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.46
Rot. Bonds15

About methyl 6-(9-hydroxynonoxy)hexanoate

methyl 6-(9-hydroxynonoxy)hexanoate (PubChem CID 139893543) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is methyl 6-(9-hydroxynonoxy)hexanoate.

Molecular Properties

Compound Namemethyl 6-(9-hydroxynonoxy)hexanoate
PubChem CID139893543
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Namemethyl 6-(9-hydroxynonoxy)hexanoate
SMILESCOC(=O)CCCCCOCCCCCCCCCO
InChIInChI=1S/C16H32O4/c1-19-16(18)12-8-7-11-15-20-14-10-6-4-2-3-5-9-13-17/h17H,2-15H2,1H3
InChIKeyCFAGCMVPNXDHPO-UHFFFAOYSA-N
XLogP3.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 14-hydroxytetradecanoate
CID 13245690
methyl 6-propoxyhexanoate
CID 68704998
methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate
CID 10586756
methyl 2-(5-hydroxypentoxy)acetate
CID 71343712
methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate
CID 164593219
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
methyl 4-heptoxybutanoate
CID 43378175
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
methyl 15-hydroxy-12-oxopentadecanoate
CID 18183464
methyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469998

Frequently Asked Questions

What is the IUPAC name of methyl 6-(9-hydroxynonoxy)hexanoate?
The IUPAC name of methyl 6-(9-hydroxynonoxy)hexanoate (CID 139893543) is methyl 6-(9-hydroxynonoxy)hexanoate.
What is the SMILES notation for methyl 6-(9-hydroxynonoxy)hexanoate?
The canonical SMILES for methyl 6-(9-hydroxynonoxy)hexanoate is COC(=O)CCCCCOCCCCCCCCCO.
What is the InChIKey of methyl 6-(9-hydroxynonoxy)hexanoate?
The InChIKey is CFAGCMVPNXDHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4/c1-19-16(18)12-8-7-11-15-20-14-10-6-4-2-3-5-9-13-17/h17H,2-15H2,1H3.
What are the key properties of methyl 6-(9-hydroxynonoxy)hexanoate?
methyl 6-(9-hydroxynonoxy)hexanoate has a molecular weight of 288.43 g/mol, XLogP of 3.46, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(9-hydroxynonoxy)hexanoate is sourced from PubChem (CID 139893543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).