(E)-10-(10-hydroxydecanoyloxy)dec-2-enoic acid

C20H36O5 — CID 11530520

IUPAC(E)-10-(10-hydroxydecanoyloxy)dec-2-enoic acid
SMILESO=C(O)/C=C/CCCCCCCOC(=O)CCCCCCCCCO
InChIInChI=1S/C20H36O5/c21-17-13-9-5-1-4-8-12-16-20(24)25-18-14-10-6-2-3-7-11-15-19(22)23/h11,15,21H,1-10,12-14,16-18H2,(H,22,23)/b15-11+
InChIKeyDRVOSBAUWBZQNY-RVDMUPIBSA-N
MW356.50 g/mol
LogP4.62
Rot. Bonds18

About (E)-10-(10-hydroxydecanoyloxy)dec-2-enoic acid

(E)-10-(10-hydroxydecanoyloxy)dec-2-enoic acid (PubChem CID 11530520) has the molecular formula C20H36O5 and a molecular weight of 356.50 g/mol. Its IUPAC name is (E)-10-(10-hydroxydecanoyloxy)dec-2-enoic acid.

Molecular Properties

Compound Name(E)-10-(10-hydroxydecanoyloxy)dec-2-enoic acid
PubChem CID11530520
Molecular FormulaC20H36O5
Molecular Weight356.50 g/mol
Exact Mass356.26
IUPAC Name(E)-10-(10-hydroxydecanoyloxy)dec-2-enoic acid
SMILESO=C(O)/C=C/CCCCCCCOC(=O)CCCCCCCCCO
InChIInChI=1S/C20H36O5/c21-17-13-9-5-1-4-8-12-16-20(24)25-18-14-10-6-2-3-7-11-15-19(22)23/h11,15,21H,1-10,12-14,16-18H2,(H,22,23)/b15-11+
InChIKeyDRVOSBAUWBZQNY-RVDMUPIBSA-N
XLogP4.62
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(Z)-22-hydroxydocos-9-enyl] 3-hydroxypropanoate
CID 101066704
22-hydroxydocos-9-enyl 3-hydroxypropanoate
CID 163192331
13-hydroxytridecyl tetradec-9-enoate
CID 174214933
19-hydroxynonadecyl icos-13-enoate
CID 166097726
25-hydroxypentacosyl icos-13-enoate
CID 166097569
27-hydroxyheptacosyl icos-11-enoate
CID 170564361
19-hydroxynonadecyl (Z)-hexadec-9-enoate
CID 166097732
32-hydroxydotriacontyl icos-13-enoate
CID 166098294
4-hydroxybutyl (Z)-octadec-9-enoate
CID 6432871
13-hydroxytridecyl tetracos-15-enoate
CID 166098217
29-hydroxynonacosyl (Z)-octadec-9-enoate
CID 166098493
26-hydroxyhexacosyl tetradec-9-enoate
CID 174214708

Frequently Asked Questions

What is the IUPAC name of (E)-10-(10-hydroxydecanoyloxy)dec-2-enoic acid?
The IUPAC name of (E)-10-(10-hydroxydecanoyloxy)dec-2-enoic acid (CID 11530520) is (E)-10-(10-hydroxydecanoyloxy)dec-2-enoic acid.
What is the SMILES notation for (E)-10-(10-hydroxydecanoyloxy)dec-2-enoic acid?
The canonical SMILES for (E)-10-(10-hydroxydecanoyloxy)dec-2-enoic acid is O=C(O)/C=C/CCCCCCCOC(=O)CCCCCCCCCO.
What is the InChIKey of (E)-10-(10-hydroxydecanoyloxy)dec-2-enoic acid?
The InChIKey is DRVOSBAUWBZQNY-RVDMUPIBSA-N. The full InChI is InChI=1S/C20H36O5/c21-17-13-9-5-1-4-8-12-16-20(24)25-18-14-10-6-2-3-7-11-15-19(22)23/h11,15,21H,1-10,12-14,16-18H2,(H,22,23)/b15-11+.
What are the key properties of (E)-10-(10-hydroxydecanoyloxy)dec-2-enoic acid?
(E)-10-(10-hydroxydecanoyloxy)dec-2-enoic acid has a molecular weight of 356.50 g/mol, XLogP of 4.62, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-(10-hydroxydecanoyloxy)dec-2-enoic acid is sourced from PubChem (CID 11530520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).