(Z)-12-(5-ethyloxolan-2-yl)-7,12-dihydroxydodec-9-enoic acid

C18H32O5 — CID 15841979

IUPAC(Z)-12-(5-ethyloxolan-2-yl)-7,12-dihydroxydodec-9-enoic acid
SMILESCCC1CCC(C(O)C/C=C\CC(O)CCCCCC(=O)O)O1
InChIInChI=1S/C18H32O5/c1-2-15-12-13-17(23-15)16(20)10-7-6-9-14(19)8-4-3-5-11-18(21)22/h6-7,14-17,19-20H,2-5,8-13H2,1H3,(H,21,22)/b7-6-
InChIKeyXJBRLNHWKVUEAW-SREVYHEPSA-N
MW328.45 g/mol
LogP3.04
Rot. Bonds12

About (Z)-12-(5-ethyloxolan-2-yl)-7,12-dihydroxydodec-9-enoic acid

(Z)-12-(5-ethyloxolan-2-yl)-7,12-dihydroxydodec-9-enoic acid (PubChem CID 15841979) has the molecular formula C18H32O5 and a molecular weight of 328.45 g/mol. Its IUPAC name is (Z)-12-(5-ethyloxolan-2-yl)-7,12-dihydroxydodec-9-enoic acid.

Molecular Properties

Compound Name(Z)-12-(5-ethyloxolan-2-yl)-7,12-dihydroxydodec-9-enoic acid
PubChem CID15841979
Molecular FormulaC18H32O5
Molecular Weight328.45 g/mol
Exact Mass328.22
IUPAC Name(Z)-12-(5-ethyloxolan-2-yl)-7,12-dihydroxydodec-9-enoic acid
SMILESCCC1CCC(C(O)C/C=C\CC(O)CCCCCC(=O)O)O1
InChIInChI=1S/C18H32O5/c1-2-15-12-13-17(23-15)16(20)10-7-6-9-14(19)8-4-3-5-11-18(21)22/h6-7,14-17,19-20H,2-5,8-13H2,1H3,(H,21,22)/b7-6-
InChIKeyXJBRLNHWKVUEAW-SREVYHEPSA-N
XLogP3.04
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
Glyceryl Monooleate
CID 5283468
Monolinolein
CID 6436630
Methyl Ricinoleate
CID 5354133
2-Oleoylglycerol
CID 5319879
Glyceryl Ricinoleate
CID 6433266
1-Linolenoylglycerol
CID 5367328
Glycol oleate
CID 5364420
(5Z,8Z,11Z)-14,15-Dihydroxyicosa-5,8,11-Trienoic Acid
CID 5283147
2-Linoleoylglycerol
CID 5365676
Glyceryl triricinoleate
CID 11764524
1-Monolinolein
CID 5283469

Frequently Asked Questions

What is the IUPAC name of (Z)-12-(5-ethyloxolan-2-yl)-7,12-dihydroxydodec-9-enoic acid?
The IUPAC name of (Z)-12-(5-ethyloxolan-2-yl)-7,12-dihydroxydodec-9-enoic acid (CID 15841979) is (Z)-12-(5-ethyloxolan-2-yl)-7,12-dihydroxydodec-9-enoic acid.
What is the SMILES notation for (Z)-12-(5-ethyloxolan-2-yl)-7,12-dihydroxydodec-9-enoic acid?
The canonical SMILES for (Z)-12-(5-ethyloxolan-2-yl)-7,12-dihydroxydodec-9-enoic acid is CCC1CCC(C(O)C/C=C\CC(O)CCCCCC(=O)O)O1.
What is the InChIKey of (Z)-12-(5-ethyloxolan-2-yl)-7,12-dihydroxydodec-9-enoic acid?
The InChIKey is XJBRLNHWKVUEAW-SREVYHEPSA-N. The full InChI is InChI=1S/C18H32O5/c1-2-15-12-13-17(23-15)16(20)10-7-6-9-14(19)8-4-3-5-11-18(21)22/h6-7,14-17,19-20H,2-5,8-13H2,1H3,(H,21,22)/b7-6-.
What are the key properties of (Z)-12-(5-ethyloxolan-2-yl)-7,12-dihydroxydodec-9-enoic acid?
(Z)-12-(5-ethyloxolan-2-yl)-7,12-dihydroxydodec-9-enoic acid has a molecular weight of 328.45 g/mol, XLogP of 3.04, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-12-(5-ethyloxolan-2-yl)-7,12-dihydroxydodec-9-enoic acid is sourced from PubChem (CID 15841979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).