2-undec-1-enyl-2-(2-undec-1-enyloxan-2-yl)oxyoxane

C32H58O3 — CID 175119284

IUPAC2-undec-1-enyl-2-(2-undec-1-enyloxan-2-yl)oxyoxane
SMILESCCCCCCCCCC=CC1(OC2(C=CCCCCCCCCC)CCCCO2)CCCCO1
InChIInChI=1S/C32H58O3/c1-3-5-7-9-11-13-15-17-19-25-31(27-21-23-29-33-31)35-32(28-22-24-30-34-32)26-20-18-16-14-12-10-8-6-4-2/h19-20,25-26H,3-18,21-24,27-30H2,1-2H3
InChIKeyPMUBQMLNHSSUCC-UHFFFAOYSA-N
MW490.81 g/mol
LogP10.19
Rot. Bonds20

About 2-undec-1-enyl-2-(2-undec-1-enyloxan-2-yl)oxyoxane

2-undec-1-enyl-2-(2-undec-1-enyloxan-2-yl)oxyoxane (PubChem CID 175119284) has the molecular formula C32H58O3 and a molecular weight of 490.81 g/mol. Its IUPAC name is 2-undec-1-enyl-2-(2-undec-1-enyloxan-2-yl)oxyoxane.

Molecular Properties

Compound Name2-undec-1-enyl-2-(2-undec-1-enyloxan-2-yl)oxyoxane
PubChem CID175119284
Molecular FormulaC32H58O3
Molecular Weight490.81 g/mol
Exact Mass490.44
IUPAC Name2-undec-1-enyl-2-(2-undec-1-enyloxan-2-yl)oxyoxane
SMILESCCCCCCCCCC=CC1(OC2(C=CCCCCCCCCC)CCCCO2)CCCCO1
InChIInChI=1S/C32H58O3/c1-3-5-7-9-11-13-15-17-19-25-31(27-21-23-29-33-31)35-32(28-22-24-30-34-32)26-20-18-16-14-12-10-8-6-4-2/h19-20,25-26H,3-18,21-24,27-30H2,1-2H3
InChIKeyPMUBQMLNHSSUCC-UHFFFAOYSA-N
XLogP10.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.81
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane
CID 134857983
2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane
CID 134858588
8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane
CID 162415276
(4S,6S,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 162415278
(4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 162415279
2-Methyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 14832114
2-Methoxy-2-pent-1-enyloxane
CID 67848315
(2S)-2-methoxy-2-pent-1-enyloxane
CID 67905082
2-Heptadec-11-enyl-2-(2-heptadec-11-enyloxan-2-yl)oxyoxane
CID 70570150
(4S,6S)-4-[[(4S,6R)-2,2-dimethyl-6-pentadecyl-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane
CID 118075349
(4R,6S)-4-butyl-6-[[(4S,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane
CID 118086128
6-Butylperoxy-10-ethoxy-6-methoxy-10-propoxyhexadeca-4,11-diene
CID 141027194

Frequently Asked Questions

What is the IUPAC name of 2-undec-1-enyl-2-(2-undec-1-enyloxan-2-yl)oxyoxane?
The IUPAC name of 2-undec-1-enyl-2-(2-undec-1-enyloxan-2-yl)oxyoxane (CID 175119284) is 2-undec-1-enyl-2-(2-undec-1-enyloxan-2-yl)oxyoxane.
What is the SMILES notation for 2-undec-1-enyl-2-(2-undec-1-enyloxan-2-yl)oxyoxane?
The canonical SMILES for 2-undec-1-enyl-2-(2-undec-1-enyloxan-2-yl)oxyoxane is CCCCCCCCCC=CC1(OC2(C=CCCCCCCCCC)CCCCO2)CCCCO1.
What is the InChIKey of 2-undec-1-enyl-2-(2-undec-1-enyloxan-2-yl)oxyoxane?
The InChIKey is PMUBQMLNHSSUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58O3/c1-3-5-7-9-11-13-15-17-19-25-31(27-21-23-29-33-31)35-32(28-22-24-30-34-32)26-20-18-16-14-12-10-8-6-4-2/h19-20,25-26H,3-18,21-24,27-30H2,1-2H3.
What are the key properties of 2-undec-1-enyl-2-(2-undec-1-enyloxan-2-yl)oxyoxane?
2-undec-1-enyl-2-(2-undec-1-enyloxan-2-yl)oxyoxane has a molecular weight of 490.81 g/mol, XLogP of 10.19, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undec-1-enyl-2-(2-undec-1-enyloxan-2-yl)oxyoxane is sourced from PubChem (CID 175119284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).