(2S,3R,4R)-1-(methoxymethoxy)hex-5-ene-2,3,4-triol

C8H16O5 — CID 134860895

IUPAC(2S,3R,4R)-1-(methoxymethoxy)hex-5-ene-2,3,4-triol
SMILESC=C[C@@H](O)[C@@H](O)[C@@H](O)COCOC
InChIInChI=1S/C8H16O5/c1-3-6(9)8(11)7(10)4-13-5-12-2/h3,6-11H,1,4-5H2,2H3/t6-,7+,8-/m1/s1
InChIKeyYGRDETNZEKEFNT-GJMOJQLCSA-N
MW192.21 g/mol
LogP-1.12
Rot. Bonds7

About (2S,3R,4R)-1-(methoxymethoxy)hex-5-ene-2,3,4-triol

(2S,3R,4R)-1-(methoxymethoxy)hex-5-ene-2,3,4-triol (PubChem CID 134860895) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is (2S,3R,4R)-1-(methoxymethoxy)hex-5-ene-2,3,4-triol.

Molecular Properties

Compound Name(2S,3R,4R)-1-(methoxymethoxy)hex-5-ene-2,3,4-triol
PubChem CID134860895
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name(2S,3R,4R)-1-(methoxymethoxy)hex-5-ene-2,3,4-triol
SMILESC=C[C@@H](O)[C@@H](O)[C@@H](O)COCOC
InChIInChI=1S/C8H16O5/c1-3-6(9)8(11)7(10)4-13-5-12-2/h3,6-11H,1,4-5H2,2H3/t6-,7+,8-/m1/s1
InChIKeyYGRDETNZEKEFNT-GJMOJQLCSA-N
XLogP-1.12
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[(4S,5S)-5-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10899994
(R)-1-((4R,5S)-2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-yl)ethane-1,2-diol
CID 11063164
1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 155185118
(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 10866792
(1R)-1-[(4R,5S)-5-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 11009419
(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 11263931
(Z,4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(methoxymethoxy)pent-2-ene-1,4-diol
CID 11821409
4-(Methoxymethoxy)hex-5-en-3-ol
CID 12916897
(1R,1'R)-1,1'-((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(prop-2-en-1-ol)
CID 12966926
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 13593193
(1S,2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ene-1,2-diol
CID 13758644
(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-ol
CID 24823369

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-1-(methoxymethoxy)hex-5-ene-2,3,4-triol?
The IUPAC name of (2S,3R,4R)-1-(methoxymethoxy)hex-5-ene-2,3,4-triol (CID 134860895) is (2S,3R,4R)-1-(methoxymethoxy)hex-5-ene-2,3,4-triol.
What is the SMILES notation for (2S,3R,4R)-1-(methoxymethoxy)hex-5-ene-2,3,4-triol?
The canonical SMILES for (2S,3R,4R)-1-(methoxymethoxy)hex-5-ene-2,3,4-triol is C=C[C@@H](O)[C@@H](O)[C@@H](O)COCOC.
What is the InChIKey of (2S,3R,4R)-1-(methoxymethoxy)hex-5-ene-2,3,4-triol?
The InChIKey is YGRDETNZEKEFNT-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H16O5/c1-3-6(9)8(11)7(10)4-13-5-12-2/h3,6-11H,1,4-5H2,2H3/t6-,7+,8-/m1/s1.
What are the key properties of (2S,3R,4R)-1-(methoxymethoxy)hex-5-ene-2,3,4-triol?
(2S,3R,4R)-1-(methoxymethoxy)hex-5-ene-2,3,4-triol has a molecular weight of 192.21 g/mol, XLogP of -1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-1-(methoxymethoxy)hex-5-ene-2,3,4-triol is sourced from PubChem (CID 134860895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).