(2S,3S)-2-(methoxymethoxy)-3-prop-2-enylbutane-1,4-diol

C9H18O4 — CID 57122961

IUPAC(2S,3S)-2-(methoxymethoxy)-3-prop-2-enylbutane-1,4-diol
SMILESC=CC[C@@H](CO)[C@@H](CO)OCOC
InChIInChI=1S/C9H18O4/c1-3-4-8(5-10)9(6-11)13-7-12-2/h3,8-11H,1,4-7H2,2H3/t8-,9+/m0/s1
InChIKeyUZRLGOOVQOKHPB-DTWKUNHWSA-N
MW190.24 g/mol
LogP0.15
Rot. Bonds8

About (2S,3S)-2-(methoxymethoxy)-3-prop-2-enylbutane-1,4-diol

(2S,3S)-2-(methoxymethoxy)-3-prop-2-enylbutane-1,4-diol (PubChem CID 57122961) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2S,3S)-2-(methoxymethoxy)-3-prop-2-enylbutane-1,4-diol.

Molecular Properties

Compound Name(2S,3S)-2-(methoxymethoxy)-3-prop-2-enylbutane-1,4-diol
PubChem CID57122961
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(2S,3S)-2-(methoxymethoxy)-3-prop-2-enylbutane-1,4-diol
SMILESC=CC[C@@H](CO)[C@@H](CO)OCOC
InChIInChI=1S/C9H18O4/c1-3-4-8(5-10)9(6-11)13-7-12-2/h3,8-11H,1,4-7H2,2H3/t8-,9+/m0/s1
InChIKeyUZRLGOOVQOKHPB-DTWKUNHWSA-N
XLogP0.15
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2S,3S)-2-(methoxymethoxy)-3-prop-2-enylbutane-1,4-diol?
The IUPAC name of (2S,3S)-2-(methoxymethoxy)-3-prop-2-enylbutane-1,4-diol (CID 57122961) is (2S,3S)-2-(methoxymethoxy)-3-prop-2-enylbutane-1,4-diol.
What is the SMILES notation for (2S,3S)-2-(methoxymethoxy)-3-prop-2-enylbutane-1,4-diol?
The canonical SMILES for (2S,3S)-2-(methoxymethoxy)-3-prop-2-enylbutane-1,4-diol is C=CC[C@@H](CO)[C@@H](CO)OCOC.
What is the InChIKey of (2S,3S)-2-(methoxymethoxy)-3-prop-2-enylbutane-1,4-diol?
The InChIKey is UZRLGOOVQOKHPB-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18O4/c1-3-4-8(5-10)9(6-11)13-7-12-2/h3,8-11H,1,4-7H2,2H3/t8-,9+/m0/s1.
What are the key properties of (2S,3S)-2-(methoxymethoxy)-3-prop-2-enylbutane-1,4-diol?
(2S,3S)-2-(methoxymethoxy)-3-prop-2-enylbutane-1,4-diol has a molecular weight of 190.24 g/mol, XLogP of 0.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(methoxymethoxy)-3-prop-2-enylbutane-1,4-diol is sourced from PubChem (CID 57122961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).