2-hydroxyethyl 3,8-dihydroxy-2-methylideneoctanoate

C11H20O5 — CID 57018189

IUPAC2-hydroxyethyl 3,8-dihydroxy-2-methylideneoctanoate
SMILESC=C(C(=O)OCCO)C(O)CCCCCO
InChIInChI=1S/C11H20O5/c1-9(11(15)16-8-7-13)10(14)5-3-2-4-6-12/h10,12-14H,1-8H2
InChIKeyWTXMWUUFVHDKJD-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.01
Rot. Bonds9

About 2-hydroxyethyl 3,8-dihydroxy-2-methylideneoctanoate

2-hydroxyethyl 3,8-dihydroxy-2-methylideneoctanoate (PubChem CID 57018189) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-hydroxyethyl 3,8-dihydroxy-2-methylideneoctanoate.

Molecular Properties

Compound Name2-hydroxyethyl 3,8-dihydroxy-2-methylideneoctanoate
PubChem CID57018189
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name2-hydroxyethyl 3,8-dihydroxy-2-methylideneoctanoate
SMILESC=C(C(=O)OCCO)C(O)CCCCCO
InChIInChI=1S/C11H20O5/c1-9(11(15)16-8-7-13)10(14)5-3-2-4-6-12/h10,12-14H,1-8H2
InChIKeyWTXMWUUFVHDKJD-UHFFFAOYSA-N
XLogP-0.01
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(2R)-2-hydroxy-3-[(11E,14E)-icosa-11,14-dienoyl]oxypropoxy]methyl]prop-2-enoic acid
CID 162964615
ethyl (7R)-7-hydroxy-2-methylidenedodecanoate
CID 15258413
Methyl 3-hydroxy-2-methylideneoctanoate
CID 10976204
Methyl 3-hydroxy-2-methyleneheptanoate
CID 11789673
Methyl 2-ethenylidene-3-hydroxyoctanoate
CID 16742714
[2-Hydroxy-3-(2-methylprop-2-enoyloxy)propyl] octadecanoate
CID 89214281
[2-Hydroxy-3-(2-methylprop-2-enoyloxy)propyl] octanoate
CID 101820780
[2-Hydroxy-3-(2-methylprop-2-enoyloxy)propyl] hexadecanoate
CID 101820788
2-Hydroxypropyl 3-fluoro-2-methylideneoctanoate
CID 139685588
ethyl (2E)-3-hydroxy-2-(iodomethylidene)nonanoate
CID 44217186
Nonanoic acid, 3-hydroxy-2-methylene-, methyl ester
CID 11171640
Methyl 3-hydroxy-2-methylidenedecanoate
CID 11424438

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3,8-dihydroxy-2-methylideneoctanoate?
The IUPAC name of 2-hydroxyethyl 3,8-dihydroxy-2-methylideneoctanoate (CID 57018189) is 2-hydroxyethyl 3,8-dihydroxy-2-methylideneoctanoate.
What is the SMILES notation for 2-hydroxyethyl 3,8-dihydroxy-2-methylideneoctanoate?
The canonical SMILES for 2-hydroxyethyl 3,8-dihydroxy-2-methylideneoctanoate is C=C(C(=O)OCCO)C(O)CCCCCO.
What is the InChIKey of 2-hydroxyethyl 3,8-dihydroxy-2-methylideneoctanoate?
The InChIKey is WTXMWUUFVHDKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-9(11(15)16-8-7-13)10(14)5-3-2-4-6-12/h10,12-14H,1-8H2.
What are the key properties of 2-hydroxyethyl 3,8-dihydroxy-2-methylideneoctanoate?
2-hydroxyethyl 3,8-dihydroxy-2-methylideneoctanoate has a molecular weight of 232.28 g/mol, XLogP of -0.01, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3,8-dihydroxy-2-methylideneoctanoate is sourced from PubChem (CID 57018189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).