(Z)-3-hydroxyhexadec-10-enoic acid

C16H30O3 — CID 164665006

IUPAC(Z)-3-hydroxyhexadec-10-enoic acid
SMILESCCCCC/C=C\CCCCCCC(O)CC(=O)O
InChIInChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h6-7,15,17H,2-5,8-14H2,1H3,(H,18,19)/b7-6-
InChIKeyVHMNIOFCJNQGPM-SREVYHEPSA-N
MW270.41 g/mol
LogP4.30
Rot. Bonds13

About (Z)-3-hydroxyhexadec-10-enoic acid

(Z)-3-hydroxyhexadec-10-enoic acid (PubChem CID 164665006) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is (Z)-3-hydroxyhexadec-10-enoic acid.

Molecular Properties

Compound Name(Z)-3-hydroxyhexadec-10-enoic acid
PubChem CID164665006
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name(Z)-3-hydroxyhexadec-10-enoic acid
SMILESCCCCC/C=C\CCCCCCC(O)CC(=O)O
InChIInChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h6-7,15,17H,2-5,8-14H2,1H3,(H,18,19)/b7-6-
InChIKeyVHMNIOFCJNQGPM-SREVYHEPSA-N
XLogP4.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(Z,3R)-3-hydroxytetradec-7-enoic acid
CID 24881363
3-hydroxyoctadecanoic acid
CID 158545826
3-hydroxytetracosanoic acid
CID 5312781
3-hydroxyoctanoic acid
CID 159718411
3-hydroxytetradec-5-enoic acid
CID 73443469
14-hydroxydotriacont-20-enoic acid
CID 168720018
(Z)-8-hydroxytetracos-15-enoic acid
CID 161317669
4-hydroxydocosa-9,13-dienoic acid
CID 139805405
octacos-21-en-10-ol
CID 163011476
3-hydroxyhenicosa-12,20-dienoic acid
CID 139805434
(3R)-3,8-dihydroxytetradec-5-enoic acid
CID 57012260
3-methyloctadec-9-enoic acid
CID 57233638

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxyhexadec-10-enoic acid?
The IUPAC name of (Z)-3-hydroxyhexadec-10-enoic acid (CID 164665006) is (Z)-3-hydroxyhexadec-10-enoic acid.
What is the SMILES notation for (Z)-3-hydroxyhexadec-10-enoic acid?
The canonical SMILES for (Z)-3-hydroxyhexadec-10-enoic acid is CCCCC/C=C\CCCCCCC(O)CC(=O)O.
What is the InChIKey of (Z)-3-hydroxyhexadec-10-enoic acid?
The InChIKey is VHMNIOFCJNQGPM-SREVYHEPSA-N. The full InChI is InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h6-7,15,17H,2-5,8-14H2,1H3,(H,18,19)/b7-6-.
What are the key properties of (Z)-3-hydroxyhexadec-10-enoic acid?
(Z)-3-hydroxyhexadec-10-enoic acid has a molecular weight of 270.41 g/mol, XLogP of 4.30, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxyhexadec-10-enoic acid is sourced from PubChem (CID 164665006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).