2,6-bis(methoxymethoxy)-1,5-dimethylnaphthalene;1,5-dibromo-2,6-bis(methoxymethoxy)naphthalene

C30H34Br2O8 — CID 158698772

IUPAC2,6-bis(methoxymethoxy)-1,5-dimethylnaphthalene;1,5-dibromo-2,6-bis(methoxymethoxy)naphthalene
SMILESCOCOc1ccc2c(Br)c(OCOC)ccc2c1Br.COCOc1ccc2c(C)c(OCOC)ccc2c1C
InChIInChI=1S/C16H20O4.C14H14Br2O4/c1-11-13-5-8-16(20-10-18-4)12(2)14(13)6-7-15(11)19-9-17-3;1-17-7-19-11-5-3-10-9(13(11)15)4-6-12(14(10)16)20-8-18-2/h5-8H,9-10H2,1-4H3;3-6H,7-8H2,1-2H3
InChIKeyIHGQEOHZOCLPBG-UHFFFAOYSA-N
MW682.40 g/mol
LogP7.75
Rot. Bonds12

About 2,6-bis(methoxymethoxy)-1,5-dimethylnaphthalene;1,5-dibromo-2,6-bis(methoxymethoxy)naphthalene

2,6-bis(methoxymethoxy)-1,5-dimethylnaphthalene;1,5-dibromo-2,6-bis(methoxymethoxy)naphthalene (PubChem CID 158698772) has the molecular formula C30H34Br2O8 and a molecular weight of 682.40 g/mol. Its IUPAC name is 2,6-bis(methoxymethoxy)-1,5-dimethylnaphthalene;1,5-dibromo-2,6-bis(methoxymethoxy)naphthalene.

Molecular Properties

Compound Name2,6-bis(methoxymethoxy)-1,5-dimethylnaphthalene;1,5-dibromo-2,6-bis(methoxymethoxy)naphthalene
PubChem CID158698772
Molecular FormulaC30H34Br2O8
Molecular Weight682.40 g/mol
Exact Mass680.06
IUPAC Name2,6-bis(methoxymethoxy)-1,5-dimethylnaphthalene;1,5-dibromo-2,6-bis(methoxymethoxy)naphthalene
SMILESCOCOc1ccc2c(Br)c(OCOC)ccc2c1Br.COCOc1ccc2c(C)c(OCOC)ccc2c1C
InChIInChI=1S/C16H20O4.C14H14Br2O4/c1-11-13-5-8-16(20-10-18-4)12(2)14(13)6-7-15(11)19-9-17-3;1-17-7-19-11-5-3-10-9(13(11)15)4-6-12(14(10)16)20-8-18-2/h5-8H,9-10H2,1-4H3;3-6H,7-8H2,1-2H3
InChIKeyIHGQEOHZOCLPBG-UHFFFAOYSA-N
XLogP7.75
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.40
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(methoxymethoxy)-1,5-dimethylnaphthalene;1,5-dibromo-2,6-bis(methoxymethoxy)naphthalene?
The IUPAC name of 2,6-bis(methoxymethoxy)-1,5-dimethylnaphthalene;1,5-dibromo-2,6-bis(methoxymethoxy)naphthalene (CID 158698772) is 2,6-bis(methoxymethoxy)-1,5-dimethylnaphthalene;1,5-dibromo-2,6-bis(methoxymethoxy)naphthalene.
What is the SMILES notation for 2,6-bis(methoxymethoxy)-1,5-dimethylnaphthalene;1,5-dibromo-2,6-bis(methoxymethoxy)naphthalene?
The canonical SMILES for 2,6-bis(methoxymethoxy)-1,5-dimethylnaphthalene;1,5-dibromo-2,6-bis(methoxymethoxy)naphthalene is COCOc1ccc2c(Br)c(OCOC)ccc2c1Br.COCOc1ccc2c(C)c(OCOC)ccc2c1C.
What is the InChIKey of 2,6-bis(methoxymethoxy)-1,5-dimethylnaphthalene;1,5-dibromo-2,6-bis(methoxymethoxy)naphthalene?
The InChIKey is IHGQEOHZOCLPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4.C14H14Br2O4/c1-11-13-5-8-16(20-10-18-4)12(2)14(13)6-7-15(11)19-9-17-3;1-17-7-19-11-5-3-10-9(13(11)15)4-6-12(14(10)16)20-8-18-2/h5-8H,9-10H2,1-4H3;3-6H,7-8H2,1-2H3.
What are the key properties of 2,6-bis(methoxymethoxy)-1,5-dimethylnaphthalene;1,5-dibromo-2,6-bis(methoxymethoxy)naphthalene?
2,6-bis(methoxymethoxy)-1,5-dimethylnaphthalene;1,5-dibromo-2,6-bis(methoxymethoxy)naphthalene has a molecular weight of 682.40 g/mol, XLogP of 7.75, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(methoxymethoxy)-1,5-dimethylnaphthalene;1,5-dibromo-2,6-bis(methoxymethoxy)naphthalene is sourced from PubChem (CID 158698772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).