1-[1-decoxy-1-(methoxymethoxy)hex-1-en-2-yl]oxydecane

C28H56O4 — CID 166757652

IUPAC1-[1-decoxy-1-(methoxymethoxy)hex-1-en-2-yl]oxydecane
SMILESCCCCCCCCCCOC(CCCC)=C(OCCCCCCCCCC)OCOC
InChIInChI=1S/C28H56O4/c1-5-8-11-13-15-17-19-21-24-30-27(23-10-7-3)28(32-26-29-4)31-25-22-20-18-16-14-12-9-6-2/h5-26H2,1-4H3
InChIKeyGQMZPIPJSBDEBE-UHFFFAOYSA-N
MW456.75 g/mol
LogP9.28
Rot. Bonds26

About 1-[1-decoxy-1-(methoxymethoxy)hex-1-en-2-yl]oxydecane

1-[1-decoxy-1-(methoxymethoxy)hex-1-en-2-yl]oxydecane (PubChem CID 166757652) has the molecular formula C28H56O4 and a molecular weight of 456.75 g/mol. Its IUPAC name is 1-[1-decoxy-1-(methoxymethoxy)hex-1-en-2-yl]oxydecane.

Molecular Properties

Compound Name1-[1-decoxy-1-(methoxymethoxy)hex-1-en-2-yl]oxydecane
PubChem CID166757652
Molecular FormulaC28H56O4
Molecular Weight456.75 g/mol
Exact Mass456.42
IUPAC Name1-[1-decoxy-1-(methoxymethoxy)hex-1-en-2-yl]oxydecane
SMILESCCCCCCCCCCOC(CCCC)=C(OCCCCCCCCCC)OCOC
InChIInChI=1S/C28H56O4/c1-5-8-11-13-15-17-19-21-24-30-27(23-10-7-3)28(32-26-29-4)31-25-22-20-18-16-14-12-9-6-2/h5-26H2,1-4H3
InChIKeyGQMZPIPJSBDEBE-UHFFFAOYSA-N
XLogP9.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.75
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(methoxymethoxy)-1-octoxyhex-1-en-2-yl]oxyoctane
CID 166758231
1-(methoxymethoxy)-1,2-dipentoxyundec-1-ene
CID 166758186
1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene
CID 166757481
1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene
CID 166758083
(Z)-1,2-dibutoxy-1-(methoxymethoxy)dec-1-ene
CID 166757933
(Z)-1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene
CID 166758082
1-(methoxymethoxy)-1,2-dipentoxypent-1-ene
CID 166757454
1-(heptoxymethoxy)-1,2-dipentoxyhept-1-ene
CID 166757816
(Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene
CID 166757534
1-[1-(heptoxymethoxy)-1-nonoxypent-1-en-2-yl]oxynonane
CID 166757935
1-[[(Z)-1,2-dibutoxypent-1-enoxy]methoxy]heptane
CID 166757505
1-[[(Z)-1,2-dibutoxypent-1-enoxy]methoxy]octane
CID 166758903

Frequently Asked Questions

What is the IUPAC name of 1-[1-decoxy-1-(methoxymethoxy)hex-1-en-2-yl]oxydecane?
The IUPAC name of 1-[1-decoxy-1-(methoxymethoxy)hex-1-en-2-yl]oxydecane (CID 166757652) is 1-[1-decoxy-1-(methoxymethoxy)hex-1-en-2-yl]oxydecane.
What is the SMILES notation for 1-[1-decoxy-1-(methoxymethoxy)hex-1-en-2-yl]oxydecane?
The canonical SMILES for 1-[1-decoxy-1-(methoxymethoxy)hex-1-en-2-yl]oxydecane is CCCCCCCCCCOC(CCCC)=C(OCCCCCCCCCC)OCOC.
What is the InChIKey of 1-[1-decoxy-1-(methoxymethoxy)hex-1-en-2-yl]oxydecane?
The InChIKey is GQMZPIPJSBDEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O4/c1-5-8-11-13-15-17-19-21-24-30-27(23-10-7-3)28(32-26-29-4)31-25-22-20-18-16-14-12-9-6-2/h5-26H2,1-4H3.
What are the key properties of 1-[1-decoxy-1-(methoxymethoxy)hex-1-en-2-yl]oxydecane?
1-[1-decoxy-1-(methoxymethoxy)hex-1-en-2-yl]oxydecane has a molecular weight of 456.75 g/mol, XLogP of 9.28, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-decoxy-1-(methoxymethoxy)hex-1-en-2-yl]oxydecane is sourced from PubChem (CID 166757652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).