1,3-bis[(E)-but-2-en-2-yl]benzene;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol

C24H40O4 — CID 163241318

IUPAC1,3-bis[(E)-but-2-en-2-yl]benzene;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
SMILESC/C=C(\C)c1cccc(/C(C)=C/C)c1.COCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C14H18.C10H22O4/c1-5-11(3)13-8-7-9-14(10-13)12(4)6-2;1-8(11)5-13-10(3)7-14-9(2)6-12-4/h5-10H,1-4H3;8-11H,5-7H2,1-4H3/b11-5+,12-6+;
InChIKeyAFZDWHONXZQYMF-JPAPVDFESA-N
MW392.58 g/mol
LogP5.36
Rot. Bonds10

About 1,3-bis[(E)-but-2-en-2-yl]benzene;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol

1,3-bis[(E)-but-2-en-2-yl]benzene;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol (PubChem CID 163241318) has the molecular formula C24H40O4 and a molecular weight of 392.58 g/mol. Its IUPAC name is 1,3-bis[(E)-but-2-en-2-yl]benzene;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[(E)-but-2-en-2-yl]benzene;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
PubChem CID163241318
Molecular FormulaC24H40O4
Molecular Weight392.58 g/mol
Exact Mass392.29
IUPAC Name1,3-bis[(E)-but-2-en-2-yl]benzene;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
SMILESC/C=C(\C)c1cccc(/C(C)=C/C)c1.COCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C14H18.C10H22O4/c1-5-11(3)13-8-7-9-14(10-13)12(4)6-2;1-8(11)5-13-10(3)7-14-9(2)6-12-4/h5-10H,1-4H3;8-11H,5-7H2,1-4H3/b11-5+,12-6+;
InChIKeyAFZDWHONXZQYMF-JPAPVDFESA-N
XLogP5.36
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(E)-but-2-en-2-yl]benzene;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The IUPAC name of 1,3-bis[(E)-but-2-en-2-yl]benzene;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol (CID 163241318) is 1,3-bis[(E)-but-2-en-2-yl]benzene;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol.
What is the SMILES notation for 1,3-bis[(E)-but-2-en-2-yl]benzene;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The canonical SMILES for 1,3-bis[(E)-but-2-en-2-yl]benzene;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol is C/C=C(\C)c1cccc(/C(C)=C/C)c1.COCC(C)OCC(C)OCC(C)O.
What is the InChIKey of 1,3-bis[(E)-but-2-en-2-yl]benzene;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The InChIKey is AFZDWHONXZQYMF-JPAPVDFESA-N. The full InChI is InChI=1S/C14H18.C10H22O4/c1-5-11(3)13-8-7-9-14(10-13)12(4)6-2;1-8(11)5-13-10(3)7-14-9(2)6-12-4/h5-10H,1-4H3;8-11H,5-7H2,1-4H3/b11-5+,12-6+;.
What are the key properties of 1,3-bis[(E)-but-2-en-2-yl]benzene;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
1,3-bis[(E)-but-2-en-2-yl]benzene;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol has a molecular weight of 392.58 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(E)-but-2-en-2-yl]benzene;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol is sourced from PubChem (CID 163241318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).