6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2-[6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl]ethanamine

C33H49NO7 — CID 160816738

IUPAC6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2-[6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl]ethanamine
SMILESCOCOc1c(C)c(C)c2c(c1C=O)CCC(C)(C)O2.COCOc1c(C)c(C)c2c(c1CCN)CCC(C)(C)O2
InChIInChI=1S/C17H27NO3.C16H22O4/c1-11-12(2)16-13(6-8-17(3,4)21-16)14(7-9-18)15(11)20-10-19-5;1-10-11(2)15-12(6-7-16(3,4)20-15)13(8-17)14(10)19-9-18-5/h6-10,18H2,1-5H3;8H,6-7,9H2,1-5H3
InChIKeySEZQVQHGEYDUPD-UHFFFAOYSA-N
MW571.76 g/mol
LogP6.09
Rot. Bonds9

About 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2-[6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl]ethanamine

6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2-[6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl]ethanamine (PubChem CID 160816738) has the molecular formula C33H49NO7 and a molecular weight of 571.76 g/mol. Its IUPAC name is 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2-[6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl]ethanamine.

Molecular Properties

Compound Name6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2-[6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl]ethanamine
PubChem CID160816738
Molecular FormulaC33H49NO7
Molecular Weight571.76 g/mol
Exact Mass571.35
IUPAC Name6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2-[6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl]ethanamine
SMILESCOCOc1c(C)c(C)c2c(c1C=O)CCC(C)(C)O2.COCOc1c(C)c(C)c2c(c1CCN)CCC(C)(C)O2
InChIInChI=1S/C17H27NO3.C16H22O4/c1-11-12(2)16-13(6-8-17(3,4)21-16)14(7-9-18)15(11)20-10-19-5;1-10-11(2)15-12(6-7-16(3,4)20-15)13(8-17)14(10)19-9-18-5/h6-10,18H2,1-5H3;8H,6-7,9H2,1-5H3
InChIKeySEZQVQHGEYDUPD-UHFFFAOYSA-N
XLogP6.09
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.76
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2-[6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2-[6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl]ethanamine?
The IUPAC name of 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2-[6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl]ethanamine (CID 160816738) is 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2-[6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl]ethanamine.
What is the SMILES notation for 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2-[6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl]ethanamine?
The canonical SMILES for 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2-[6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl]ethanamine is COCOc1c(C)c(C)c2c(c1C=O)CCC(C)(C)O2.COCOc1c(C)c(C)c2c(c1CCN)CCC(C)(C)O2.
What is the InChIKey of 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2-[6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl]ethanamine?
The InChIKey is SEZQVQHGEYDUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3.C16H22O4/c1-11-12(2)16-13(6-8-17(3,4)21-16)14(7-9-18)15(11)20-10-19-5;1-10-11(2)15-12(6-7-16(3,4)20-15)13(8-17)14(10)19-9-18-5/h6-10,18H2,1-5H3;8H,6-7,9H2,1-5H3.
What are the key properties of 6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2-[6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl]ethanamine?
6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2-[6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl]ethanamine has a molecular weight of 571.76 g/mol, XLogP of 6.09, 9 rotatable bonds, 1 hydrogen bond donors, and 8 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-[6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl]ethanamine is sourced from PubChem (CID 160816738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).