(2S,3R,4R)-4-(methoxymethoxy)oct-7-ene-1,2,3-triol

C10H20O5 — CID 134856154

IUPAC(2S,3R,4R)-4-(methoxymethoxy)oct-7-ene-1,2,3-triol
SMILESC=CCC[C@@H](OCOC)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C10H20O5/c1-3-4-5-9(15-7-14-2)10(13)8(12)6-11/h3,8-13H,1,4-7H2,2H3/t8-,9+,10+/m0/s1
InChIKeyXEMYSCIOYWIVHZ-IVZWLZJFSA-N
MW220.26 g/mol
LogP-0.34
Rot. Bonds9

About (2S,3R,4R)-4-(methoxymethoxy)oct-7-ene-1,2,3-triol

(2S,3R,4R)-4-(methoxymethoxy)oct-7-ene-1,2,3-triol (PubChem CID 134856154) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is (2S,3R,4R)-4-(methoxymethoxy)oct-7-ene-1,2,3-triol.

Molecular Properties

Compound Name(2S,3R,4R)-4-(methoxymethoxy)oct-7-ene-1,2,3-triol
PubChem CID134856154
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name(2S,3R,4R)-4-(methoxymethoxy)oct-7-ene-1,2,3-triol
SMILESC=CCC[C@@H](OCOC)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C10H20O5/c1-3-4-5-9(15-7-14-2)10(13)8(12)6-11/h3,8-13H,1,4-7H2,2H3/t8-,9+,10+/m0/s1
InChIKeyXEMYSCIOYWIVHZ-IVZWLZJFSA-N
XLogP-0.34
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

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CID 42627501
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CID 11322182
(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol
CID 11346374
(4S,6R)-6-(methoxymethoxy)tridec-1-en-4-ol
CID 12187867
3-(Methoxymethoxy)oct-1-en-4-ol
CID 13025034
(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol
CID 14164707
(4R,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 16059325
5-Methoxymethoxy-9-methyl-dec-8-ene-2,4-diol
CID 53305210
1-(6-Allyl-3-methoxymethoxy-tetrahydro-pyran-2-yl)-propan-2-ol
CID 53305213
(4S,5R,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-ol
CID 102144558
(4R,5R,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-ol
CID 102144559
(2R,3R,4S,5R,6S)-2-(1-hydroxybut-3-enyl)-6-methoxyoxane-3,4,5-triol
CID 102266624

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-4-(methoxymethoxy)oct-7-ene-1,2,3-triol?
The IUPAC name of (2S,3R,4R)-4-(methoxymethoxy)oct-7-ene-1,2,3-triol (CID 134856154) is (2S,3R,4R)-4-(methoxymethoxy)oct-7-ene-1,2,3-triol.
What is the SMILES notation for (2S,3R,4R)-4-(methoxymethoxy)oct-7-ene-1,2,3-triol?
The canonical SMILES for (2S,3R,4R)-4-(methoxymethoxy)oct-7-ene-1,2,3-triol is C=CCC[C@@H](OCOC)[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3R,4R)-4-(methoxymethoxy)oct-7-ene-1,2,3-triol?
The InChIKey is XEMYSCIOYWIVHZ-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H20O5/c1-3-4-5-9(15-7-14-2)10(13)8(12)6-11/h3,8-13H,1,4-7H2,2H3/t8-,9+,10+/m0/s1.
What are the key properties of (2S,3R,4R)-4-(methoxymethoxy)oct-7-ene-1,2,3-triol?
(2S,3R,4R)-4-(methoxymethoxy)oct-7-ene-1,2,3-triol has a molecular weight of 220.26 g/mol, XLogP of -0.34, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-4-(methoxymethoxy)oct-7-ene-1,2,3-triol is sourced from PubChem (CID 134856154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).