1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene

C18H36O4 — CID 166758083

IUPAC1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene
SMILESCCCCCCC(OCCCC)=C(OCCCC)OCOC
InChIInChI=1S/C18H36O4/c1-5-8-11-12-13-17(20-14-9-6-2)18(22-16-19-4)21-15-10-7-3/h5-16H2,1-4H3
InChIKeyKPKCRUTXRVHJIH-UHFFFAOYSA-N
MW316.48 g/mol
LogP5.38
Rot. Bonds16

About 1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene

1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene (PubChem CID 166758083) has the molecular formula C18H36O4 and a molecular weight of 316.48 g/mol. Its IUPAC name is 1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene.

Molecular Properties

Compound Name1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene
PubChem CID166758083
Molecular FormulaC18H36O4
Molecular Weight316.48 g/mol
Exact Mass316.26
IUPAC Name1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene
SMILESCCCCCCC(OCCCC)=C(OCCCC)OCOC
InChIInChI=1S/C18H36O4/c1-5-8-11-12-13-17(20-14-9-6-2)18(22-16-19-4)21-15-10-7-3/h5-16H2,1-4H3
InChIKeyKPKCRUTXRVHJIH-UHFFFAOYSA-N
XLogP5.38
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.48
LogP ≤ 55.38
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

(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-dipentoxyundec-1-ene
CID 166758186
1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene
CID 166757481
1-[1-(methoxymethoxy)-1-octoxyhex-1-en-2-yl]oxyoctane
CID 166758231
1-[1-decoxy-1-(methoxymethoxy)hex-1-en-2-yl]oxydecane
CID 166757652
1-(methoxymethoxy)-1,2-dipentoxypent-1-ene
CID 166757454
(Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene
CID 166757534
1-(heptoxymethoxy)-1,2-dipentoxyhept-1-ene
CID 166757816
1-(butoxymethoxy)-1,2-dipropoxyhept-1-ene
CID 166757268
(Z)-1,2-dimethoxy-1-(methoxymethoxy)tridec-1-ene
CID 166758033
1-[[(Z)-1,2-dibutoxypent-1-enoxy]methoxy]heptane
CID 166757505

Frequently Asked Questions

What is the IUPAC name of 1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene?
The IUPAC name of 1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene (CID 166758083) is 1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene.
What is the SMILES notation for 1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene?
The canonical SMILES for 1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene is CCCCCCC(OCCCC)=C(OCCCC)OCOC.
What is the InChIKey of 1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene?
The InChIKey is KPKCRUTXRVHJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4/c1-5-8-11-12-13-17(20-14-9-6-2)18(22-16-19-4)21-15-10-7-3/h5-16H2,1-4H3.
What are the key properties of 1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene?
1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene has a molecular weight of 316.48 g/mol, XLogP of 5.38, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene is sourced from PubChem (CID 166758083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).