(Z)-12-(5-ethyloxolan-2-yl)-12-hydroxydodec-9-enoic acid

C18H32O4 — CID 15841981

IUPAC(Z)-12-(5-ethyloxolan-2-yl)-12-hydroxydodec-9-enoic acid
SMILESCCC1CCC(C(O)C/C=C\CCCCCCCC(=O)O)O1
InChIInChI=1S/C18H32O4/c1-2-15-13-14-17(22-15)16(19)11-9-7-5-3-4-6-8-10-12-18(20)21/h7,9,15-17,19H,2-6,8,10-14H2,1H3,(H,20,21)/b9-7-
InChIKeyBLZRUYMMXDVEJR-CLFYSBASSA-N
MW312.45 g/mol
LogP4.07
Rot. Bonds12

About (Z)-12-(5-ethyloxolan-2-yl)-12-hydroxydodec-9-enoic acid

(Z)-12-(5-ethyloxolan-2-yl)-12-hydroxydodec-9-enoic acid (PubChem CID 15841981) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is (Z)-12-(5-ethyloxolan-2-yl)-12-hydroxydodec-9-enoic acid.

Molecular Properties

Compound Name(Z)-12-(5-ethyloxolan-2-yl)-12-hydroxydodec-9-enoic acid
PubChem CID15841981
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name(Z)-12-(5-ethyloxolan-2-yl)-12-hydroxydodec-9-enoic acid
SMILESCCC1CCC(C(O)C/C=C\CCCCCCCC(=O)O)O1
InChIInChI=1S/C18H32O4/c1-2-15-13-14-17(22-15)16(19)11-9-7-5-3-4-6-8-10-12-18(20)21/h7,9,15-17,19H,2-6,8,10-14H2,1H3,(H,20,21)/b9-7-
InChIKeyBLZRUYMMXDVEJR-CLFYSBASSA-N
XLogP4.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-12-hydroxydodec-9-enoic acid?
The IUPAC name of (Z)-12-(5-ethyloxolan-2-yl)-12-hydroxydodec-9-enoic acid (CID 15841981) is (Z)-12-(5-ethyloxolan-2-yl)-12-hydroxydodec-9-enoic acid.
What is the SMILES notation for (Z)-12-(5-ethyloxolan-2-yl)-12-hydroxydodec-9-enoic acid?
The canonical SMILES for (Z)-12-(5-ethyloxolan-2-yl)-12-hydroxydodec-9-enoic acid is CCC1CCC(C(O)C/C=C\CCCCCCCC(=O)O)O1.
What is the InChIKey of (Z)-12-(5-ethyloxolan-2-yl)-12-hydroxydodec-9-enoic acid?
The InChIKey is BLZRUYMMXDVEJR-CLFYSBASSA-N. The full InChI is InChI=1S/C18H32O4/c1-2-15-13-14-17(22-15)16(19)11-9-7-5-3-4-6-8-10-12-18(20)21/h7,9,15-17,19H,2-6,8,10-14H2,1H3,(H,20,21)/b9-7-.
What are the key properties of (Z)-12-(5-ethyloxolan-2-yl)-12-hydroxydodec-9-enoic acid?
(Z)-12-(5-ethyloxolan-2-yl)-12-hydroxydodec-9-enoic acid has a molecular weight of 312.45 g/mol, XLogP of 4.07, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-12-(5-ethyloxolan-2-yl)-12-hydroxydodec-9-enoic acid is sourced from PubChem (CID 15841981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).