2-ethenyl-2-methyloxirane;2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol;2-methylbut-3-ene-1,2-diol

C19H34O6 — CID 157083568

IUPAC2-ethenyl-2-methyloxirane;2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol;2-methylbut-3-ene-1,2-diol
SMILESC=CC(C)(O)CO.C=CC(O)COC(C)(C=C)CO.C=CC1(C)CO1
InChIInChI=1S/C9H16O3.C5H10O2.C5H8O/c1-4-8(11)6-12-9(3,5-2)7-10;1-3-5(2,7)4-6;1-3-5(2)4-6-5/h4-5,8,10-11H,1-2,6-7H2,3H3;3,6-7H,1,4H2,2H3;3H,1,4H2,2H3
InChIKeyADVHLNOJKDZQCZ-UHFFFAOYSA-N
MW358.48 g/mol
LogP1.36
Rot. Bonds9

About 2-ethenyl-2-methyloxirane;2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol;2-methylbut-3-ene-1,2-diol

2-ethenyl-2-methyloxirane;2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol;2-methylbut-3-ene-1,2-diol (PubChem CID 157083568) has the molecular formula C19H34O6 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-ethenyl-2-methyloxirane;2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol;2-methylbut-3-ene-1,2-diol.

Molecular Properties

Compound Name2-ethenyl-2-methyloxirane;2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol;2-methylbut-3-ene-1,2-diol
PubChem CID157083568
Molecular FormulaC19H34O6
Molecular Weight358.48 g/mol
Exact Mass358.24
IUPAC Name2-ethenyl-2-methyloxirane;2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol;2-methylbut-3-ene-1,2-diol
SMILESC=CC(C)(O)CO.C=CC(O)COC(C)(C=C)CO.C=CC1(C)CO1
InChIInChI=1S/C9H16O3.C5H10O2.C5H8O/c1-4-8(11)6-12-9(3,5-2)7-10;1-3-5(2,7)4-6;1-3-5(2)4-6-5/h4-5,8,10-11H,1-2,6-7H2,3H3;3,6-7H,1,4H2,2H3;3H,1,4H2,2H3
InChIKeyADVHLNOJKDZQCZ-UHFFFAOYSA-N
XLogP1.36
TPSA102.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-Hydroxy-2-tert-butoxy-3-butene
CID 19025070
2-butoxybut-3-en-1-ol;(E)-4-butoxybut-2-en-1-ol
CID 19778737
2-(2-Hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol
CID 20697414
2-But-3-enoxy-2-methylbut-3-en-1-ol
CID 20697430
2-Ethenyloxirane;2-methoxybut-3-en-1-ol
CID 87924948
(2R)-2-but-3-enoxy-2-methylbut-3-en-1-ol
CID 89686470
4-[(2-Methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol
CID 123974512
2-Methyl-2-[2-(2-methyl-1-prop-2-enoxypropan-2-yl)oxy-3-propan-2-yloxypropoxy]propan-1-ol
CID 155241115
2-Ethenyl-2-methyloxirane;2-methylbut-3-ene-1,2-diol
CID 157265227
But-3-en-1-ol;prop-2-en-1-ol;2-prop-2-enoxyethanol;1-(2-prop-2-enoxyethoxy)propan-2-ol;2-(1-prop-2-enoxypropan-2-yloxy)ethanol
CID 158185712
2-Ethenyl-2-methyloxirane;2-methoxy-2-methylbut-3-en-1-ol;2-(2-methoxy-2-methylbut-3-enoxy)-2-methylbut-3-en-1-ol
CID 158603938
1-[2-[(2-Methylpropan-2-yl)oxy]ethoxy]-3-(oxiran-2-ylmethoxy)propan-2-ol;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-prop-2-enoxypropan-2-ol
CID 158605958

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-methyloxirane;2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol;2-methylbut-3-ene-1,2-diol?
The IUPAC name of 2-ethenyl-2-methyloxirane;2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol;2-methylbut-3-ene-1,2-diol (CID 157083568) is 2-ethenyl-2-methyloxirane;2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol;2-methylbut-3-ene-1,2-diol.
What is the SMILES notation for 2-ethenyl-2-methyloxirane;2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol;2-methylbut-3-ene-1,2-diol?
The canonical SMILES for 2-ethenyl-2-methyloxirane;2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol;2-methylbut-3-ene-1,2-diol is C=CC(C)(O)CO.C=CC(O)COC(C)(C=C)CO.C=CC1(C)CO1.
What is the InChIKey of 2-ethenyl-2-methyloxirane;2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol;2-methylbut-3-ene-1,2-diol?
The InChIKey is ADVHLNOJKDZQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3.C5H10O2.C5H8O/c1-4-8(11)6-12-9(3,5-2)7-10;1-3-5(2,7)4-6;1-3-5(2)4-6-5/h4-5,8,10-11H,1-2,6-7H2,3H3;3,6-7H,1,4H2,2H3;3H,1,4H2,2H3.
What are the key properties of 2-ethenyl-2-methyloxirane;2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol;2-methylbut-3-ene-1,2-diol?
2-ethenyl-2-methyloxirane;2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol;2-methylbut-3-ene-1,2-diol has a molecular weight of 358.48 g/mol, XLogP of 1.36, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-methyloxirane;2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol;2-methylbut-3-ene-1,2-diol is sourced from PubChem (CID 157083568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).