5-hydroxy-5-[4-hydroxy-5-[(1E,5Z)-3-hydroxyundeca-1,5-dienyl]oxolan-2-yl]pentanoic acid

C20H34O6 — CID 126457324

IUPAC5-hydroxy-5-[4-hydroxy-5-[(1E,5Z)-3-hydroxyundeca-1,5-dienyl]oxolan-2-yl]pentanoic acid
SMILESCCCCC/C=C\CC(O)/C=C/C1OC(C(O)CCCC(=O)O)CC1O
InChIInChI=1S/C20H34O6/c1-2-3-4-5-6-7-9-15(21)12-13-18-17(23)14-19(26-18)16(22)10-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+
InChIKeyBACPHWAVJGJMGH-NQFDUOLLSA-N
MW370.49 g/mol
LogP2.56
Rot. Bonds13

About 5-hydroxy-5-[4-hydroxy-5-[(1E,5Z)-3-hydroxyundeca-1,5-dienyl]oxolan-2-yl]pentanoic acid

5-hydroxy-5-[4-hydroxy-5-[(1E,5Z)-3-hydroxyundeca-1,5-dienyl]oxolan-2-yl]pentanoic acid (PubChem CID 126457324) has the molecular formula C20H34O6 and a molecular weight of 370.49 g/mol. Its IUPAC name is 5-hydroxy-5-[4-hydroxy-5-[(1E,5Z)-3-hydroxyundeca-1,5-dienyl]oxolan-2-yl]pentanoic acid.

Molecular Properties

Compound Name5-hydroxy-5-[4-hydroxy-5-[(1E,5Z)-3-hydroxyundeca-1,5-dienyl]oxolan-2-yl]pentanoic acid
PubChem CID126457324
Molecular FormulaC20H34O6
Molecular Weight370.49 g/mol
Exact Mass370.24
IUPAC Name5-hydroxy-5-[4-hydroxy-5-[(1E,5Z)-3-hydroxyundeca-1,5-dienyl]oxolan-2-yl]pentanoic acid
SMILESCCCCC/C=C\CC(O)/C=C/C1OC(C(O)CCCC(=O)O)CC1O
InChIInChI=1S/C20H34O6/c1-2-3-4-5-6-7-9-15(21)12-13-18-17(23)14-19(26-18)16(22)10-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+
InChIKeyBACPHWAVJGJMGH-NQFDUOLLSA-N
XLogP2.56
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

Sorbitan mono-(9Z)-9-octadecenoate
CID 9920342
Sorbitan Trioleate
CID 9920343
Sorbitan Dioleate
CID 22833309
Ascorbyl Linoleate
CID 54726224
Arlacel
CID 5385498
2(5H)-Furanone, 3-[2,13-dihydroxy-9-oxo-13-[tetrahydro-5-(1-hydroxytridecyl)-2-furanyl]tridecyl]-5-methyl-
CID 78385440
Muricin J
CID 86298571
Asiminenin A
CID 131750930
5,8,12-TriHOME(9)
CID 5312877
Ascorbyloleate
CID 54689795
Nonanoic acid 2-hydroxy-1-(4-nonylidene-5-oxo-tetrahydro-furan-2-yl)-ethyl ester
CID 44338655
[(1S)-2-hydroxy-1-[(4E)-4-nonylidene-5-oxooxolan-2-yl]ethyl] nonanoate
CID 44338686

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-[4-hydroxy-5-[(1E,5Z)-3-hydroxyundeca-1,5-dienyl]oxolan-2-yl]pentanoic acid?
The IUPAC name of 5-hydroxy-5-[4-hydroxy-5-[(1E,5Z)-3-hydroxyundeca-1,5-dienyl]oxolan-2-yl]pentanoic acid (CID 126457324) is 5-hydroxy-5-[4-hydroxy-5-[(1E,5Z)-3-hydroxyundeca-1,5-dienyl]oxolan-2-yl]pentanoic acid.
What is the SMILES notation for 5-hydroxy-5-[4-hydroxy-5-[(1E,5Z)-3-hydroxyundeca-1,5-dienyl]oxolan-2-yl]pentanoic acid?
The canonical SMILES for 5-hydroxy-5-[4-hydroxy-5-[(1E,5Z)-3-hydroxyundeca-1,5-dienyl]oxolan-2-yl]pentanoic acid is CCCCC/C=C\CC(O)/C=C/C1OC(C(O)CCCC(=O)O)CC1O.
What is the InChIKey of 5-hydroxy-5-[4-hydroxy-5-[(1E,5Z)-3-hydroxyundeca-1,5-dienyl]oxolan-2-yl]pentanoic acid?
The InChIKey is BACPHWAVJGJMGH-NQFDUOLLSA-N. The full InChI is InChI=1S/C20H34O6/c1-2-3-4-5-6-7-9-15(21)12-13-18-17(23)14-19(26-18)16(22)10-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+.
What are the key properties of 5-hydroxy-5-[4-hydroxy-5-[(1E,5Z)-3-hydroxyundeca-1,5-dienyl]oxolan-2-yl]pentanoic acid?
5-hydroxy-5-[4-hydroxy-5-[(1E,5Z)-3-hydroxyundeca-1,5-dienyl]oxolan-2-yl]pentanoic acid has a molecular weight of 370.49 g/mol, XLogP of 2.56, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-[4-hydroxy-5-[(1E,5Z)-3-hydroxyundeca-1,5-dienyl]oxolan-2-yl]pentanoic acid is sourced from PubChem (CID 126457324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).