1-(2,3-dimethoxy-1-pentoxyoct-2-enoxy)-2,3-dimethoxy-1-pentoxyoct-2-ene

C30H58O7 — CID 175167179

IUPAC1-(2,3-dimethoxy-1-pentoxyoct-2-enoxy)-2,3-dimethoxy-1-pentoxyoct-2-ene
SMILESCCCCCOC(OC(OCCCCC)C(OC)=C(CCCCC)OC)C(OC)=C(CCCCC)OC
InChIInChI=1S/C30H58O7/c1-9-13-17-21-25(31-5)27(33-7)29(35-23-19-15-11-3)37-30(36-24-20-16-12-4)28(34-8)26(32-6)22-18-14-10-2/h29-30H,9-24H2,1-8H3
InChIKeyXOBHDZINDYBDGJ-UHFFFAOYSA-N
MW530.79 g/mol
LogP8.24
Rot. Bonds26

About 1-(2,3-dimethoxy-1-pentoxyoct-2-enoxy)-2,3-dimethoxy-1-pentoxyoct-2-ene

1-(2,3-dimethoxy-1-pentoxyoct-2-enoxy)-2,3-dimethoxy-1-pentoxyoct-2-ene (PubChem CID 175167179) has the molecular formula C30H58O7 and a molecular weight of 530.79 g/mol. Its IUPAC name is 1-(2,3-dimethoxy-1-pentoxyoct-2-enoxy)-2,3-dimethoxy-1-pentoxyoct-2-ene.

Molecular Properties

Compound Name1-(2,3-dimethoxy-1-pentoxyoct-2-enoxy)-2,3-dimethoxy-1-pentoxyoct-2-ene
PubChem CID175167179
Molecular FormulaC30H58O7
Molecular Weight530.79 g/mol
Exact Mass530.42
IUPAC Name1-(2,3-dimethoxy-1-pentoxyoct-2-enoxy)-2,3-dimethoxy-1-pentoxyoct-2-ene
SMILESCCCCCOC(OC(OCCCCC)C(OC)=C(CCCCC)OC)C(OC)=C(CCCCC)OC
InChIInChI=1S/C30H58O7/c1-9-13-17-21-25(31-5)27(33-7)29(35-23-19-15-11-3)37-30(36-24-20-16-12-4)28(34-8)26(32-6)22-18-14-10-2/h29-30H,9-24H2,1-8H3
InChIKeyXOBHDZINDYBDGJ-UHFFFAOYSA-N
XLogP8.24
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.79
LogP ≤ 58.24
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-dimethoxy-1-nonoxytridec-2-enoxy)-2,3-dimethoxy-1-nonoxytridec-2-ene
CID 175225179
1,2,3-trimethoxy-1-(1,2,3-trimethoxynonadec-2-enoxy)nonadec-2-ene
CID 175226304
2,3-dibutoxy-1-(2,3-dibutoxy-1-pentoxyoct-2-enoxy)-1-pentoxyoct-2-ene
CID 175177310
1-(2,3-diethoxy-1-pentoxyoct-2-enoxy)-2,3-diethoxy-1-pentoxyoct-2-ene
CID 175177135
[1-(2,3-dimethoxy-1-phenylmethoxytridec-2-enoxy)-2,3-dimethoxytridec-2-enoxy]methylbenzene
CID 175226209
1-ethoxy-1-(1-ethoxy-2,3-dipropoxytridec-2-enoxy)-2,3-dipropoxytridec-2-ene
CID 175225384
1,2,3-triethoxy-1-(1,2,3-triethoxypentadec-2-enoxy)pentadec-2-ene
CID 175226174
6-(7,8-dimethoxyicos-7-en-6-yloxymethoxymethoxy)-7,8-dimethoxyicos-7-ene
CID 175226007
1-methoxy-1-(1-methoxy-2,3-dipropoxydodec-2-enoxy)-2,3-dipropoxydodec-2-ene
CID 175164388
[1-[(2,3-dimethoxy-1-phenylpentadec-2-enoxy)methoxymethoxy]-2,3-dimethoxypentadec-2-enyl]benzene
CID 175225285
1-(2,3-diethoxy-1-methoxyhept-2-enoxy)-2,3-diethoxy-1-methoxyhept-2-ene
CID 175165112
icosoxymethanediol
CID 175975847

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxy-1-pentoxyoct-2-enoxy)-2,3-dimethoxy-1-pentoxyoct-2-ene?
The IUPAC name of 1-(2,3-dimethoxy-1-pentoxyoct-2-enoxy)-2,3-dimethoxy-1-pentoxyoct-2-ene (CID 175167179) is 1-(2,3-dimethoxy-1-pentoxyoct-2-enoxy)-2,3-dimethoxy-1-pentoxyoct-2-ene.
What is the SMILES notation for 1-(2,3-dimethoxy-1-pentoxyoct-2-enoxy)-2,3-dimethoxy-1-pentoxyoct-2-ene?
The canonical SMILES for 1-(2,3-dimethoxy-1-pentoxyoct-2-enoxy)-2,3-dimethoxy-1-pentoxyoct-2-ene is CCCCCOC(OC(OCCCCC)C(OC)=C(CCCCC)OC)C(OC)=C(CCCCC)OC.
What is the InChIKey of 1-(2,3-dimethoxy-1-pentoxyoct-2-enoxy)-2,3-dimethoxy-1-pentoxyoct-2-ene?
The InChIKey is XOBHDZINDYBDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O7/c1-9-13-17-21-25(31-5)27(33-7)29(35-23-19-15-11-3)37-30(36-24-20-16-12-4)28(34-8)26(32-6)22-18-14-10-2/h29-30H,9-24H2,1-8H3.
What are the key properties of 1-(2,3-dimethoxy-1-pentoxyoct-2-enoxy)-2,3-dimethoxy-1-pentoxyoct-2-ene?
1-(2,3-dimethoxy-1-pentoxyoct-2-enoxy)-2,3-dimethoxy-1-pentoxyoct-2-ene has a molecular weight of 530.79 g/mol, XLogP of 8.24, 26 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxy-1-pentoxyoct-2-enoxy)-2,3-dimethoxy-1-pentoxyoct-2-ene is sourced from PubChem (CID 175167179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).