7-[(3Z)-3-[[(3Z)-3-[[(3Z)-3-propylideneoxiran-2-yl]methylidene]oxiran-2-yl]methylidene]oxiran-2-yl]heptanoic acid

C18H24O5 — CID 139962532

IUPAC7-[(3Z)-3-[[(3Z)-3-[[(3Z)-3-propylideneoxiran-2-yl]methylidene]oxiran-2-yl]methylidene]oxiran-2-yl]heptanoic acid
SMILESCC/C=C1\OC1/C=C1\OC1/C=C1\OC1CCCCCCC(=O)O
InChIInChI=1S/C18H24O5/c1-2-7-12-14(21-12)10-16-17(23-16)11-15-13(22-15)8-5-3-4-6-9-18(19)20/h7,10-11,13-14,17H,2-6,8-9H2,1H3,(H,19,20)/b12-7-,15-11-,16-10-
InChIKeyQYABEZOHXYMBGX-WNPJJMPNSA-N
MW320.39 g/mol
LogP3.67
Rot. Bonds10

About 7-[(3Z)-3-[[(3Z)-3-[[(3Z)-3-propylideneoxiran-2-yl]methylidene]oxiran-2-yl]methylidene]oxiran-2-yl]heptanoic acid

7-[(3Z)-3-[[(3Z)-3-[[(3Z)-3-propylideneoxiran-2-yl]methylidene]oxiran-2-yl]methylidene]oxiran-2-yl]heptanoic acid (PubChem CID 139962532) has the molecular formula C18H24O5 and a molecular weight of 320.39 g/mol. Its IUPAC name is 7-[(3Z)-3-[[(3Z)-3-[[(3Z)-3-propylideneoxiran-2-yl]methylidene]oxiran-2-yl]methylidene]oxiran-2-yl]heptanoic acid.

Molecular Properties

Compound Name7-[(3Z)-3-[[(3Z)-3-[[(3Z)-3-propylideneoxiran-2-yl]methylidene]oxiran-2-yl]methylidene]oxiran-2-yl]heptanoic acid
PubChem CID139962532
Molecular FormulaC18H24O5
Molecular Weight320.39 g/mol
Exact Mass320.16
IUPAC Name7-[(3Z)-3-[[(3Z)-3-[[(3Z)-3-propylideneoxiran-2-yl]methylidene]oxiran-2-yl]methylidene]oxiran-2-yl]heptanoic acid
SMILESCC/C=C1\OC1/C=C1\OC1/C=C1\OC1CCCCCCC(=O)O
InChIInChI=1S/C18H24O5/c1-2-7-12-14(21-12)10-16-17(23-16)11-15-13(22-15)8-5-3-4-6-9-18(19)20/h7,10-11,13-14,17H,2-6,8-9H2,1H3,(H,19,20)/b12-7-,15-11-,16-10-
InChIKeyQYABEZOHXYMBGX-WNPJJMPNSA-N
XLogP3.67
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 7-[(3Z)-3-[[(3Z)-3-[[(3Z)-3-propylideneoxiran-2-yl]methylidene]oxiran-2-yl]methylidene]oxiran-2-yl]heptanoic acid with MolForge

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Launch Full Analysis

Related Compounds

7-(4-octyloxolan-3-yl)heptanoic acid
CID 53463626
octadecanoic acid;titanium
CID 87082041
9-[(2S,3S)-3-heptyloxiran-2-yl]nonanoic acid
CID 98092610
iron;bis(8-(3-octyloxiran-2-yl)octanoic acid)
CID 153323059
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320
10-(2-butylcyclopropyl)decanoic acid
CID 71374776
5-[(2R,3S)-3-undecyloxiran-2-yl]pentanoic acid
CID 656738
17-[(2S,3R)-3-ethyloxiran-2-yl]heptadecanoic acid
CID 118711036
18-[(2R,3S)-3-ethyloxiran-2-yl]octadecanoic acid
CID 118711037
(Z,11E)-11-[(3S)-3-[(E)-pent-2-enyl]oxiran-2-ylidene]undec-9-enoic acid
CID 21158459
octadecanoic acid;titanium;trihydrate
CID 153488689
hexadecanoic acid;molecular hydrogen;hydrochloride
CID 173258662

Frequently Asked Questions

What is the IUPAC name of 7-[(3Z)-3-[[(3Z)-3-[[(3Z)-3-propylideneoxiran-2-yl]methylidene]oxiran-2-yl]methylidene]oxiran-2-yl]heptanoic acid?
The IUPAC name of 7-[(3Z)-3-[[(3Z)-3-[[(3Z)-3-propylideneoxiran-2-yl]methylidene]oxiran-2-yl]methylidene]oxiran-2-yl]heptanoic acid (CID 139962532) is 7-[(3Z)-3-[[(3Z)-3-[[(3Z)-3-propylideneoxiran-2-yl]methylidene]oxiran-2-yl]methylidene]oxiran-2-yl]heptanoic acid.
What is the SMILES notation for 7-[(3Z)-3-[[(3Z)-3-[[(3Z)-3-propylideneoxiran-2-yl]methylidene]oxiran-2-yl]methylidene]oxiran-2-yl]heptanoic acid?
The canonical SMILES for 7-[(3Z)-3-[[(3Z)-3-[[(3Z)-3-propylideneoxiran-2-yl]methylidene]oxiran-2-yl]methylidene]oxiran-2-yl]heptanoic acid is CC/C=C1\OC1/C=C1\OC1/C=C1\OC1CCCCCCC(=O)O.
What is the InChIKey of 7-[(3Z)-3-[[(3Z)-3-[[(3Z)-3-propylideneoxiran-2-yl]methylidene]oxiran-2-yl]methylidene]oxiran-2-yl]heptanoic acid?
The InChIKey is QYABEZOHXYMBGX-WNPJJMPNSA-N. The full InChI is InChI=1S/C18H24O5/c1-2-7-12-14(21-12)10-16-17(23-16)11-15-13(22-15)8-5-3-4-6-9-18(19)20/h7,10-11,13-14,17H,2-6,8-9H2,1H3,(H,19,20)/b12-7-,15-11-,16-10-.
What are the key properties of 7-[(3Z)-3-[[(3Z)-3-[[(3Z)-3-propylideneoxiran-2-yl]methylidene]oxiran-2-yl]methylidene]oxiran-2-yl]heptanoic acid?
7-[(3Z)-3-[[(3Z)-3-[[(3Z)-3-propylideneoxiran-2-yl]methylidene]oxiran-2-yl]methylidene]oxiran-2-yl]heptanoic acid has a molecular weight of 320.39 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3Z)-3-[[(3Z)-3-[[(3Z)-3-propylideneoxiran-2-yl]methylidene]oxiran-2-yl]methylidene]oxiran-2-yl]heptanoic acid is sourced from PubChem (CID 139962532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).