ethyl (Z,3R)-3-hydroxytetradec-7-enoate

C16H30O3 — CID 24881362

IUPACethyl (Z,3R)-3-hydroxytetradec-7-enoate
SMILESCCCCCC/C=C\CCC[C@@H](O)CC(=O)OCC
InChIInChI=1S/C16H30O3/c1-3-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19-4-2/h9-10,15,17H,3-8,11-14H2,1-2H3/b10-9-/t15-/m1/s1
InChIKeyTXICTKHNWKOOGI-FJVVXJACSA-N
MW270.41 g/mol
LogP4.00
Rot. Bonds12

About ethyl (Z,3R)-3-hydroxytetradec-7-enoate

ethyl (Z,3R)-3-hydroxytetradec-7-enoate (PubChem CID 24881362) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is ethyl (Z,3R)-3-hydroxytetradec-7-enoate.

Molecular Properties

Compound Nameethyl (Z,3R)-3-hydroxytetradec-7-enoate
PubChem CID24881362
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Nameethyl (Z,3R)-3-hydroxytetradec-7-enoate
SMILESCCCCCC/C=C\CCC[C@@H](O)CC(=O)OCC
InChIInChI=1S/C16H30O3/c1-3-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19-4-2/h9-10,15,17H,3-8,11-14H2,1-2H3/b10-9-/t15-/m1/s1
InChIKeyTXICTKHNWKOOGI-FJVVXJACSA-N
XLogP4.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
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

ethyl (Z)-3-hydroxyoctadec-9-enoate
CID 169441967
methyl (E)-3-hydroxyhexadec-7-enoate
CID 24788055
(Z,3R)-3-hydroxytetradec-7-enoic acid
CID 24881363
ethyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 6437405
(Z)-3-hydroxyhexadec-10-enoic acid
CID 164665006
ethyl (E)-tridec-4-enoate
CID 10944557
ethyl (Z)-icos-9-enoate
CID 72941815
ethyl octadec-8-enoate
CID 71350628
ethyl (12R)-2,12-dihydroxyoctadec-9-enoate
CID 91253906
ethyl 9,10-dihydroxyhexadecanoate;ethyl 9,16-dihydroxyhexadecanoate;ethyl 10,16-dihydroxyhexadecanoate;ethyl hexadecanoate;ethyl (Z)-hexadec-9-enoate;ethyl (E)-hexadec-9-enoate;ethyl 9-hydroxyhexadecanoate;ethyl 10-hydroxyhexadecanoate;ethyl 16-hydroxyhexadecanoate;ethyl (Z)-16-hydroxyhexadec-9-enoate;ethyl (E)-16-hydroxyhexadec-9-enoate;ethyl 9,10,16-trihydroxyhexadecanoate
CID 159123238
ethyl (Z)-3,12-dihydroxydodec-5-enoate
CID 146253641
ethyl (E)-3-propyltridec-4-enoate
CID 134916411

Frequently Asked Questions

What is the IUPAC name of ethyl (Z,3R)-3-hydroxytetradec-7-enoate?
The IUPAC name of ethyl (Z,3R)-3-hydroxytetradec-7-enoate (CID 24881362) is ethyl (Z,3R)-3-hydroxytetradec-7-enoate.
What is the SMILES notation for ethyl (Z,3R)-3-hydroxytetradec-7-enoate?
The canonical SMILES for ethyl (Z,3R)-3-hydroxytetradec-7-enoate is CCCCCC/C=C\CCC[C@@H](O)CC(=O)OCC.
What is the InChIKey of ethyl (Z,3R)-3-hydroxytetradec-7-enoate?
The InChIKey is TXICTKHNWKOOGI-FJVVXJACSA-N. The full InChI is InChI=1S/C16H30O3/c1-3-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19-4-2/h9-10,15,17H,3-8,11-14H2,1-2H3/b10-9-/t15-/m1/s1.
What are the key properties of ethyl (Z,3R)-3-hydroxytetradec-7-enoate?
ethyl (Z,3R)-3-hydroxytetradec-7-enoate has a molecular weight of 270.41 g/mol, XLogP of 4.00, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,3R)-3-hydroxytetradec-7-enoate is sourced from PubChem (CID 24881362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).