6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol

C29H40O6 — CID 159523428

About 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol

6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol (PubChem CID 159523428) has the molecular formula C29H40O6 and a molecular weight of 484.63 g/mol. Its IUPAC name is 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

• Compound Name: 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol
• PubChem CID: 159523428
• Molecular Formula: C29H40O6
• Molecular Weight: 484.63 g/mol
• Exact Mass: 484.28
• IUPAC Name: 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol
• SMILES: COCOc1c(C)c(C)c2c(c1C=O)CCC(C)(C)O2.Cc1c(O)cc2c(c1C)OC(C)(C)CC2
• InChI: InChI=1S/C16H22O4.C13H18O2/c1-10-11(2)15-12(6-7-16(3,4)20-15)13(8-17)14(10)19-9-18-5;1-8-9(2)12-10(7-11(8)14)5-6-13(3,4)15-12/h8H,6-7,9H2,1-5H3;7,14H,5-6H2,1-4H3
• InChIKey: MCCBEXQPWRAPDY-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 74.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.63
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol?

The IUPAC name of 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol (CID 159523428) is 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol.

What is the SMILES notation for 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol?

The canonical SMILES for 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol is COCOc1c(C)c(C)c2c(c1C=O)CCC(C)(C)O2.Cc1c(O)cc2c(c1C)OC(C)(C)CC2.

What is the InChIKey of 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol?

The InChIKey is MCCBEXQPWRAPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4.C13H18O2/c1-10-11(2)15-12(6-7-16(3,4)20-15)13(8-17)14(10)19-9-18-5;1-8-9(2)12-10(7-11(8)14)5-6-13(3,4)15-12/h8H,6-7,9H2,1-5H3;7,14H,5-6H2,1-4H3.

What are the key properties of 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol?

6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol has a molecular weight of 484.63 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 159523428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).