[(Z)-[(3R,4R)-3-hexanoyloxy-4-hydroxyoxolan-2-ylidene]methyl] hexanoate

C17H28O6 — CID 145328877

IUPAC[(Z)-[(3R,4R)-3-hexanoyloxy-4-hydroxyoxolan-2-ylidene]methyl] hexanoate
SMILESCCCCCC(=O)O/C=C1\OC[C@@H](O)[C@H]1OC(=O)CCCCC
InChIInChI=1S/C17H28O6/c1-3-5-7-9-15(19)22-12-14-17(13(18)11-21-14)23-16(20)10-8-6-4-2/h12-13,17-18H,3-11H2,1-2H3/b14-12-/t13-,17-/m1/s1
InChIKeyXSNQZHISRRZZMZ-ZMPSWKENSA-N
MW328.41 g/mol
LogP2.83
Rot. Bonds10

About [(Z)-[(3R,4R)-3-hexanoyloxy-4-hydroxyoxolan-2-ylidene]methyl] hexanoate

[(Z)-[(3R,4R)-3-hexanoyloxy-4-hydroxyoxolan-2-ylidene]methyl] hexanoate (PubChem CID 145328877) has the molecular formula C17H28O6 and a molecular weight of 328.41 g/mol. Its IUPAC name is [(Z)-[(3R,4R)-3-hexanoyloxy-4-hydroxyoxolan-2-ylidene]methyl] hexanoate.

Molecular Properties

Compound Name[(Z)-[(3R,4R)-3-hexanoyloxy-4-hydroxyoxolan-2-ylidene]methyl] hexanoate
PubChem CID145328877
Molecular FormulaC17H28O6
Molecular Weight328.41 g/mol
Exact Mass328.19
IUPAC Name[(Z)-[(3R,4R)-3-hexanoyloxy-4-hydroxyoxolan-2-ylidene]methyl] hexanoate
SMILESCCCCCC(=O)O/C=C1\OC[C@@H](O)[C@H]1OC(=O)CCCCC
InChIInChI=1S/C17H28O6/c1-3-5-7-9-15(19)22-12-14-17(13(18)11-21-14)23-16(20)10-8-6-4-2/h12-13,17-18H,3-11H2,1-2H3/b14-12-/t13-,17-/m1/s1
InChIKeyXSNQZHISRRZZMZ-ZMPSWKENSA-N
XLogP2.83
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(Z)-[(3R,4R)-3-hexanoyloxy-4-hydroxyoxolan-2-ylidene]methyl] hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4,6-di(octanoyloxy)-1,3,5-trioxan-2-yl] octanoate
CID 58711194
[(3R,5S)-5-hexanoyloxy-4-hydroxyoxan-3-yl] hexanoate
CID 129219687
(4-docosanoyloxyoxolan-3-yl) docosanoate
CID 22892352
[(1R,2R)-2-hydroxycyclohexyl] decanoate
CID 122221487
[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] dodecanoate
CID 101479757
[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] dodecanoate
CID 102152298
(2,3,4,5,6-pentahydroxycyclohexyl) dodecanoate
CID 164776701
cyclopropyl decanoate
CID 154321154
[(1S,5S,6R)-5,6-dihydroxy-4-methoxy-2-oxocyclohex-3-en-1-yl] undecanoate
CID 156582478
[(2S,3S,4R)-3-hexanoyloxy-4-hydroxyoxolan-2-yl]methyl hexanoate
CID 129219674
(3-hydroxy-8-oxo-1,7-dioxaspiro[4.4]nonan-4-yl) hexanoate
CID 85158634
formyl docosanoate
CID 87130713

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(3R,4R)-3-hexanoyloxy-4-hydroxyoxolan-2-ylidene]methyl] hexanoate?
The IUPAC name of [(Z)-[(3R,4R)-3-hexanoyloxy-4-hydroxyoxolan-2-ylidene]methyl] hexanoate (CID 145328877) is [(Z)-[(3R,4R)-3-hexanoyloxy-4-hydroxyoxolan-2-ylidene]methyl] hexanoate.
What is the SMILES notation for [(Z)-[(3R,4R)-3-hexanoyloxy-4-hydroxyoxolan-2-ylidene]methyl] hexanoate?
The canonical SMILES for [(Z)-[(3R,4R)-3-hexanoyloxy-4-hydroxyoxolan-2-ylidene]methyl] hexanoate is CCCCCC(=O)O/C=C1\OC[C@@H](O)[C@H]1OC(=O)CCCCC.
What is the InChIKey of [(Z)-[(3R,4R)-3-hexanoyloxy-4-hydroxyoxolan-2-ylidene]methyl] hexanoate?
The InChIKey is XSNQZHISRRZZMZ-ZMPSWKENSA-N. The full InChI is InChI=1S/C17H28O6/c1-3-5-7-9-15(19)22-12-14-17(13(18)11-21-14)23-16(20)10-8-6-4-2/h12-13,17-18H,3-11H2,1-2H3/b14-12-/t13-,17-/m1/s1.
What are the key properties of [(Z)-[(3R,4R)-3-hexanoyloxy-4-hydroxyoxolan-2-ylidene]methyl] hexanoate?
[(Z)-[(3R,4R)-3-hexanoyloxy-4-hydroxyoxolan-2-ylidene]methyl] hexanoate has a molecular weight of 328.41 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(3R,4R)-3-hexanoyloxy-4-hydroxyoxolan-2-ylidene]methyl] hexanoate is sourced from PubChem (CID 145328877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).