1-(2,3-dimethoxyhex-2-enoxymethoxymethoxy)-2,3-dimethoxyhex-2-ene

C18H34O7 — CID 175164011

IUPAC1-(2,3-dimethoxyhex-2-enoxymethoxymethoxy)-2,3-dimethoxyhex-2-ene
SMILESCCCC(OC)=C(COCOCOCC(OC)=C(CCC)OC)OC
InChIInChI=1S/C18H34O7/c1-7-9-15(19-3)17(21-5)11-23-13-25-14-24-12-18(22-6)16(20-4)10-8-2/h7-14H2,1-6H3
InChIKeyFVYHDVWRECPABU-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.56
Rot. Bonds16

About 1-(2,3-dimethoxyhex-2-enoxymethoxymethoxy)-2,3-dimethoxyhex-2-ene

1-(2,3-dimethoxyhex-2-enoxymethoxymethoxy)-2,3-dimethoxyhex-2-ene (PubChem CID 175164011) has the molecular formula C18H34O7 and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-(2,3-dimethoxyhex-2-enoxymethoxymethoxy)-2,3-dimethoxyhex-2-ene.

Molecular Properties

Compound Name1-(2,3-dimethoxyhex-2-enoxymethoxymethoxy)-2,3-dimethoxyhex-2-ene
PubChem CID175164011
Molecular FormulaC18H34O7
Molecular Weight362.46 g/mol
Exact Mass362.23
IUPAC Name1-(2,3-dimethoxyhex-2-enoxymethoxymethoxy)-2,3-dimethoxyhex-2-ene
SMILESCCCC(OC)=C(COCOCOCC(OC)=C(CCC)OC)OC
InChIInChI=1S/C18H34O7/c1-7-9-15(19-3)17(21-5)11-23-13-25-14-24-12-18(22-6)16(20-4)10-8-2/h7-14H2,1-6H3
InChIKeyFVYHDVWRECPABU-UHFFFAOYSA-N
XLogP3.56
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(2,3-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene
CID 175171345
1-(2,3-dipropoxyoctadec-2-enoxymethoxymethoxy)-2,3-dipropoxyoctadec-2-ene
CID 175225369
1-(2,3-dipropoxydodec-2-enoxymethoxymethoxy)-2,3-dipropoxydodec-2-ene
CID 175164389
1-(2,3-diheptoxyhexadec-2-enoxymethoxymethoxy)-2,3-diheptoxyhexadec-2-ene
CID 175225173
2,3-dibutoxy-1-(2,3-dibutoxyoctadec-2-enoxymethoxymethoxy)octadec-2-ene
CID 175225416
1-(2,3-diheptoxyundec-2-enoxymethoxymethoxy)-2,3-diheptoxyundec-2-ene
CID 175173935
methyl 2-(propoxymethoxy)acetate
CID 162143030
1-[[(Z)-1,2-dimethoxypent-1-enoxy]methoxy]nonane
CID 166757236
1-[2,3-bis(pentylperoxy)non-2-enoxymethoxymethoxy]-2,3-bis(pentylperoxy)non-2-ene
CID 175169918
methyl 2-(2-methoxyethoxymethoxy)acetate
CID 86258559
2-(2-butoxy-1-methoxyethylidene)propanedinitrile
CID 89007886
methyl 2-(methoxymethoxy)acetate
CID 11018922

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyhex-2-enoxymethoxymethoxy)-2,3-dimethoxyhex-2-ene?
The IUPAC name of 1-(2,3-dimethoxyhex-2-enoxymethoxymethoxy)-2,3-dimethoxyhex-2-ene (CID 175164011) is 1-(2,3-dimethoxyhex-2-enoxymethoxymethoxy)-2,3-dimethoxyhex-2-ene.
What is the SMILES notation for 1-(2,3-dimethoxyhex-2-enoxymethoxymethoxy)-2,3-dimethoxyhex-2-ene?
The canonical SMILES for 1-(2,3-dimethoxyhex-2-enoxymethoxymethoxy)-2,3-dimethoxyhex-2-ene is CCCC(OC)=C(COCOCOCC(OC)=C(CCC)OC)OC.
What is the InChIKey of 1-(2,3-dimethoxyhex-2-enoxymethoxymethoxy)-2,3-dimethoxyhex-2-ene?
The InChIKey is FVYHDVWRECPABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O7/c1-7-9-15(19-3)17(21-5)11-23-13-25-14-24-12-18(22-6)16(20-4)10-8-2/h7-14H2,1-6H3.
What are the key properties of 1-(2,3-dimethoxyhex-2-enoxymethoxymethoxy)-2,3-dimethoxyhex-2-ene?
1-(2,3-dimethoxyhex-2-enoxymethoxymethoxy)-2,3-dimethoxyhex-2-ene has a molecular weight of 362.46 g/mol, XLogP of 3.56, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyhex-2-enoxymethoxymethoxy)-2,3-dimethoxyhex-2-ene is sourced from PubChem (CID 175164011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).