(E,5R,6R,7R)-5,6,7-tris(methoxymethoxy)oct-2-enal

C14H26O7 — CID 53362385

IUPAC(E,5R,6R,7R)-5,6,7-tris(methoxymethoxy)oct-2-enal
SMILESCOCO[C@H]([C@@H](C)OCOC)[C@@H](C/C=C/C=O)OCOC
InChIInChI=1S/C14H26O7/c1-12(19-9-16-2)14(21-11-18-4)13(20-10-17-3)7-5-6-8-15/h5-6,8,12-14H,7,9-11H2,1-4H3/b6-5+/t12-,13-,14-/m1/s1
InChIKeyDNXOUSKHGAJJQK-LHHWMGCDSA-N
MW306.36 g/mol
LogP1.12
Rot. Bonds14

About (E,5R,6R,7R)-5,6,7-tris(methoxymethoxy)oct-2-enal

(E,5R,6R,7R)-5,6,7-tris(methoxymethoxy)oct-2-enal (PubChem CID 53362385) has the molecular formula C14H26O7 and a molecular weight of 306.36 g/mol. Its IUPAC name is (E,5R,6R,7R)-5,6,7-tris(methoxymethoxy)oct-2-enal.

Molecular Properties

Compound Name(E,5R,6R,7R)-5,6,7-tris(methoxymethoxy)oct-2-enal
PubChem CID53362385
Molecular FormulaC14H26O7
Molecular Weight306.36 g/mol
Exact Mass306.17
IUPAC Name(E,5R,6R,7R)-5,6,7-tris(methoxymethoxy)oct-2-enal
SMILESCOCO[C@H]([C@@H](C)OCOC)[C@@H](C/C=C/C=O)OCOC
InChIInChI=1S/C14H26O7/c1-12(19-9-16-2)14(21-11-18-4)13(20-10-17-3)7-5-6-8-15/h5-6,8,12-14H,7,9-11H2,1-4H3/b6-5+/t12-,13-,14-/m1/s1
InChIKeyDNXOUSKHGAJJQK-LHHWMGCDSA-N
XLogP1.12
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E,5R,6R,7R)-5,6,7-tris(methoxymethoxy)oct-2-enal with MolForge

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Related Compounds

[(E,2R,3R,4R)-3,4-diacetyloxy-8-oxooct-6-en-2-yl] acetate
CID 134840189
(E)-6-(2-methoxyethoxymethoxy)hex-2-enal
CID 134861078
(2e,5s)-5-[(2r)-1,4-Dioxaspiro[4.5]dec-2-yl]-5(methoxymethoxy)pent-2-enal
CID 139210702
5,7,7-Triethoxyhept-2-enal
CID 71328584
(E)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-enal
CID 143024890
(E)-4-[(4S,5S)-2,2-dimethyl-5-[(E)-pent-3-enyl]-1,3-dioxolan-4-yl]but-2-enal
CID 11481814
(E,5R)-5-(methoxymethoxy)-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-2-enal
CID 51042522
(Z,4S)-4-(methoxymethoxy)-5-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-2-enal
CID 54590033
(E)-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enal
CID 131240871

Frequently Asked Questions

What is the IUPAC name of (E,5R,6R,7R)-5,6,7-tris(methoxymethoxy)oct-2-enal?
The IUPAC name of (E,5R,6R,7R)-5,6,7-tris(methoxymethoxy)oct-2-enal (CID 53362385) is (E,5R,6R,7R)-5,6,7-tris(methoxymethoxy)oct-2-enal.
What is the SMILES notation for (E,5R,6R,7R)-5,6,7-tris(methoxymethoxy)oct-2-enal?
The canonical SMILES for (E,5R,6R,7R)-5,6,7-tris(methoxymethoxy)oct-2-enal is COCO[C@H]([C@@H](C)OCOC)[C@@H](C/C=C/C=O)OCOC.
What is the InChIKey of (E,5R,6R,7R)-5,6,7-tris(methoxymethoxy)oct-2-enal?
The InChIKey is DNXOUSKHGAJJQK-LHHWMGCDSA-N. The full InChI is InChI=1S/C14H26O7/c1-12(19-9-16-2)14(21-11-18-4)13(20-10-17-3)7-5-6-8-15/h5-6,8,12-14H,7,9-11H2,1-4H3/b6-5+/t12-,13-,14-/m1/s1.
What are the key properties of (E,5R,6R,7R)-5,6,7-tris(methoxymethoxy)oct-2-enal?
(E,5R,6R,7R)-5,6,7-tris(methoxymethoxy)oct-2-enal has a molecular weight of 306.36 g/mol, XLogP of 1.12, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R,6R,7R)-5,6,7-tris(methoxymethoxy)oct-2-enal is sourced from PubChem (CID 53362385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).