(2R,3R,4S)-2,3,4-tris(methoxymethoxy)hex-5-en-1-ol

C12H24O7 — CID 11843726

IUPAC(2R,3R,4S)-2,3,4-tris(methoxymethoxy)hex-5-en-1-ol
SMILESC=C[C@H](OCOC)[C@@H](OCOC)[C@@H](CO)OCOC
InChIInChI=1S/C12H24O7/c1-5-10(17-7-14-2)12(19-9-16-4)11(6-13)18-8-15-3/h5,10-13H,1,6-9H2,2-4H3/t10-,11+,12+/m0/s1
InChIKeyGAJCGNJJWUZXGB-QJPTWQEYSA-N
MW280.32 g/mol
LogP0.13
Rot. Bonds13

About (2R,3R,4S)-2,3,4-tris(methoxymethoxy)hex-5-en-1-ol

(2R,3R,4S)-2,3,4-tris(methoxymethoxy)hex-5-en-1-ol (PubChem CID 11843726) has the molecular formula C12H24O7 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2R,3R,4S)-2,3,4-tris(methoxymethoxy)hex-5-en-1-ol.

Molecular Properties

Compound Name(2R,3R,4S)-2,3,4-tris(methoxymethoxy)hex-5-en-1-ol
PubChem CID11843726
Molecular FormulaC12H24O7
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC Name(2R,3R,4S)-2,3,4-tris(methoxymethoxy)hex-5-en-1-ol
SMILESC=C[C@H](OCOC)[C@@H](OCOC)[C@@H](CO)OCOC
InChIInChI=1S/C12H24O7/c1-5-10(17-7-14-2)12(19-9-16-4)11(6-13)18-8-15-3/h5,10-13H,1,6-9H2,2-4H3/t10-,11+,12+/m0/s1
InChIKeyGAJCGNJJWUZXGB-QJPTWQEYSA-N
XLogP0.13
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2,3,4-tris(methoxymethoxy)hex-5-en-1-ol?
The IUPAC name of (2R,3R,4S)-2,3,4-tris(methoxymethoxy)hex-5-en-1-ol (CID 11843726) is (2R,3R,4S)-2,3,4-tris(methoxymethoxy)hex-5-en-1-ol.
What is the SMILES notation for (2R,3R,4S)-2,3,4-tris(methoxymethoxy)hex-5-en-1-ol?
The canonical SMILES for (2R,3R,4S)-2,3,4-tris(methoxymethoxy)hex-5-en-1-ol is C=C[C@H](OCOC)[C@@H](OCOC)[C@@H](CO)OCOC.
What is the InChIKey of (2R,3R,4S)-2,3,4-tris(methoxymethoxy)hex-5-en-1-ol?
The InChIKey is GAJCGNJJWUZXGB-QJPTWQEYSA-N. The full InChI is InChI=1S/C12H24O7/c1-5-10(17-7-14-2)12(19-9-16-4)11(6-13)18-8-15-3/h5,10-13H,1,6-9H2,2-4H3/t10-,11+,12+/m0/s1.
What are the key properties of (2R,3R,4S)-2,3,4-tris(methoxymethoxy)hex-5-en-1-ol?
(2R,3R,4S)-2,3,4-tris(methoxymethoxy)hex-5-en-1-ol has a molecular weight of 280.32 g/mol, XLogP of 0.13, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2,3,4-tris(methoxymethoxy)hex-5-en-1-ol is sourced from PubChem (CID 11843726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).