(Z)-1,2-diethoxy-1-(hexoxymethoxy)hept-1-ene

C18H36O4 — CID 166757303

IUPAC(Z)-1,2-diethoxy-1-(hexoxymethoxy)hept-1-ene
SMILESCCCCCCOCO/C(OCC)=C(/CCCCC)OCC
InChIInChI=1S/C18H36O4/c1-5-9-11-13-15-19-16-22-18(21-8-4)17(20-7-3)14-12-10-6-2/h5-16H2,1-4H3/b18-17-
InChIKeyKOCBNLNIMTWEKF-ZCXUNETKSA-N
MW316.48 g/mol
LogP5.38
Rot. Bonds16

About (Z)-1,2-diethoxy-1-(hexoxymethoxy)hept-1-ene

(Z)-1,2-diethoxy-1-(hexoxymethoxy)hept-1-ene (PubChem CID 166757303) has the molecular formula C18H36O4 and a molecular weight of 316.48 g/mol. Its IUPAC name is (Z)-1,2-diethoxy-1-(hexoxymethoxy)hept-1-ene.

Molecular Properties

Compound Name(Z)-1,2-diethoxy-1-(hexoxymethoxy)hept-1-ene
PubChem CID166757303
Molecular FormulaC18H36O4
Molecular Weight316.48 g/mol
Exact Mass316.26
IUPAC Name(Z)-1,2-diethoxy-1-(hexoxymethoxy)hept-1-ene
SMILESCCCCCCOCO/C(OCC)=C(/CCCCC)OCC
InChIInChI=1S/C18H36O4/c1-5-9-11-13-15-19-16-22-18(21-8-4)17(20-7-3)14-12-10-6-2/h5-16H2,1-4H3/b18-17-
InChIKeyKOCBNLNIMTWEKF-ZCXUNETKSA-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

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-(butoxymethoxy)-1,2-dipropoxyhept-1-ene
CID 166757268
1-[[(Z)-1,2-dibutoxypent-1-enoxy]methoxy]heptane
CID 166757505
1-[[(Z)-1,2-dibutoxypent-1-enoxy]methoxy]octane
CID 166758903
1-[1-decoxy-1-(ethoxymethoxy)pent-1-en-2-yl]oxydecane
CID 166757252
1-(methoxymethoxy)-1,2-dipentoxyundec-1-ene
CID 166758186
1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene
CID 166757481
1-[[(Z)-1,2-dimethoxypent-1-enoxy]methoxy]nonane
CID 166757236
bis(hexoxymethyl) octanedioate
CID 174461943
1-[1-(methoxymethoxy)-1-octoxyhex-1-en-2-yl]oxyoctane
CID 166758231

Frequently Asked Questions

What is the IUPAC name of (Z)-1,2-diethoxy-1-(hexoxymethoxy)hept-1-ene?
The IUPAC name of (Z)-1,2-diethoxy-1-(hexoxymethoxy)hept-1-ene (CID 166757303) is (Z)-1,2-diethoxy-1-(hexoxymethoxy)hept-1-ene.
What is the SMILES notation for (Z)-1,2-diethoxy-1-(hexoxymethoxy)hept-1-ene?
The canonical SMILES for (Z)-1,2-diethoxy-1-(hexoxymethoxy)hept-1-ene is CCCCCCOCO/C(OCC)=C(/CCCCC)OCC.
What is the InChIKey of (Z)-1,2-diethoxy-1-(hexoxymethoxy)hept-1-ene?
The InChIKey is KOCBNLNIMTWEKF-ZCXUNETKSA-N. The full InChI is InChI=1S/C18H36O4/c1-5-9-11-13-15-19-16-22-18(21-8-4)17(20-7-3)14-12-10-6-2/h5-16H2,1-4H3/b18-17-.
What are the key properties of (Z)-1,2-diethoxy-1-(hexoxymethoxy)hept-1-ene?
(Z)-1,2-diethoxy-1-(hexoxymethoxy)hept-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 (Z)-1,2-diethoxy-1-(hexoxymethoxy)hept-1-ene is sourced from PubChem (CID 166757303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).