(Z)-7-hydroxy-7-(3-nonyloxiran-2-yl)oct-5-enoic acid

C19H34O4 — CID 156679597

IUPAC(Z)-7-hydroxy-7-(3-nonyloxiran-2-yl)oct-5-enoic acid
SMILESCCCCCCCCCC1OC1C(C)(O)/C=C\CCCC(=O)O
InChIInChI=1S/C19H34O4/c1-3-4-5-6-7-8-10-13-16-18(23-16)19(2,22)15-12-9-11-14-17(20)21/h12,15-16,18,22H,3-11,13-14H2,1-2H3,(H,20,21)/b15-12-
InChIKeySJXWJVCKUYZBLP-QINSGFPZSA-N
MW326.48 g/mol
LogP4.46
Rot. Bonds14

About (Z)-7-hydroxy-7-(3-nonyloxiran-2-yl)oct-5-enoic acid

(Z)-7-hydroxy-7-(3-nonyloxiran-2-yl)oct-5-enoic acid (PubChem CID 156679597) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is (Z)-7-hydroxy-7-(3-nonyloxiran-2-yl)oct-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-hydroxy-7-(3-nonyloxiran-2-yl)oct-5-enoic acid
PubChem CID156679597
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name(Z)-7-hydroxy-7-(3-nonyloxiran-2-yl)oct-5-enoic acid
SMILESCCCCCCCCCC1OC1C(C)(O)/C=C\CCCC(=O)O
InChIInChI=1S/C19H34O4/c1-3-4-5-6-7-8-10-13-16-18(23-16)19(2,22)15-12-9-11-14-17(20)21/h12,15-16,18,22H,3-11,13-14H2,1-2H3,(H,20,21)/b15-12-
InChIKeySJXWJVCKUYZBLP-QINSGFPZSA-N
XLogP4.46
TPSA70.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.46
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(Z)-13-[(2R,3S)-3-pentyloxiran-2-yl]tridec-5-enoic acid
CID 35026353
4-[3-[(Z)-2-hydroxytridec-3-en-2-yl]oxiran-2-yl]-2-methylbutanoic acid
CID 156679583
(Z)-13-[(2R,3R)-3-pentyloxiran-2-yl]tridec-8-enoic acid
CID 35028451
9-[(2S,3S)-3-heptyloxiran-2-yl]nonanoic acid
CID 98092610
iron;bis(8-(3-octyloxiran-2-yl)octanoic acid)
CID 153323059
5-[(2R,3S)-3-undecyloxiran-2-yl]pentanoic acid
CID 656738
(Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid
CID 5356421
(E)-10-(3-hexyloxiran-2-yl)dec-9-enoic acid
CID 6441745
(Z)-tetradec-5-enoic acid
CID 5312400
heptacos-5-enoic acid
CID 169277466
(Z)-tricos-5-enoic acid
CID 170849785
12-(3-butyloxiran-2-yl)dodec-9-enoic acid
CID 142998968

Frequently Asked Questions

What is the IUPAC name of (Z)-7-hydroxy-7-(3-nonyloxiran-2-yl)oct-5-enoic acid?
The IUPAC name of (Z)-7-hydroxy-7-(3-nonyloxiran-2-yl)oct-5-enoic acid (CID 156679597) is (Z)-7-hydroxy-7-(3-nonyloxiran-2-yl)oct-5-enoic acid.
What is the SMILES notation for (Z)-7-hydroxy-7-(3-nonyloxiran-2-yl)oct-5-enoic acid?
The canonical SMILES for (Z)-7-hydroxy-7-(3-nonyloxiran-2-yl)oct-5-enoic acid is CCCCCCCCCC1OC1C(C)(O)/C=C\CCCC(=O)O.
What is the InChIKey of (Z)-7-hydroxy-7-(3-nonyloxiran-2-yl)oct-5-enoic acid?
The InChIKey is SJXWJVCKUYZBLP-QINSGFPZSA-N. The full InChI is InChI=1S/C19H34O4/c1-3-4-5-6-7-8-10-13-16-18(23-16)19(2,22)15-12-9-11-14-17(20)21/h12,15-16,18,22H,3-11,13-14H2,1-2H3,(H,20,21)/b15-12-.
What are the key properties of (Z)-7-hydroxy-7-(3-nonyloxiran-2-yl)oct-5-enoic acid?
(Z)-7-hydroxy-7-(3-nonyloxiran-2-yl)oct-5-enoic acid has a molecular weight of 326.48 g/mol, XLogP of 4.46, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-hydroxy-7-(3-nonyloxiran-2-yl)oct-5-enoic acid is sourced from PubChem (CID 156679597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).