(2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol

C10H18O4 — CID 87506551

IUPAC(2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol
SMILESC=CCOC[C@H](OCC=C)[C@H](O)CO
InChIInChI=1S/C10H18O4/c1-3-5-13-8-10(9(12)7-11)14-6-4-2/h3-4,9-12H,1-2,5-8H2/t9-,10+/m1/s1
InChIKeyMYJJDPLSPZXHMH-ZJUUUORDSA-N
MW202.25 g/mol
LogP0.11
Rot. Bonds9

About (2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol

(2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol (PubChem CID 87506551) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol.

Molecular Properties

Compound Name(2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol
PubChem CID87506551
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol
SMILESC=CCOC[C@H](OCC=C)[C@H](O)CO
InChIInChI=1S/C10H18O4/c1-3-5-13-8-10(9(12)7-11)14-6-4-2/h3-4,9-12H,1-2,5-8H2/t9-,10+/m1/s1
InChIKeyMYJJDPLSPZXHMH-ZJUUUORDSA-N
XLogP0.11
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-prop-2-enoxypentane-1,2,4,5-tetrol
CID 142590945
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
3-prop-2-enoxybutane-1,2-diol
CID 14859753
2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol
CID 129166429
3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol
CID 57018640
(2S)-4-methyl-3-prop-2-enoxypentane-1,2-diol
CID 59911129
3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol
CID 88980935
3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal
CID 175306562
1-prop-2-enoxyhex-5-en-2-ol
CID 12963723
bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol
CID 174422738
(3S,4S)-3,4,5-trihydroxy-1-prop-2-enoxypentan-2-one
CID 54142770

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol?
The IUPAC name of (2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol (CID 87506551) is (2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol.
What is the SMILES notation for (2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol?
The canonical SMILES for (2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol is C=CCOC[C@H](OCC=C)[C@H](O)CO.
What is the InChIKey of (2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol?
The InChIKey is MYJJDPLSPZXHMH-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-5-13-8-10(9(12)7-11)14-6-4-2/h3-4,9-12H,1-2,5-8H2/t9-,10+/m1/s1.
What are the key properties of (2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol?
(2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol has a molecular weight of 202.25 g/mol, XLogP of 0.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol is sourced from PubChem (CID 87506551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).