2-(hydroxymethyl)-2-methylpropane-1,3-diol;4-methoxybenzene-1,3-dicarbaldehyde

C14H20O6 — CID 174155559

IUPAC2-(hydroxymethyl)-2-methylpropane-1,3-diol;4-methoxybenzene-1,3-dicarbaldehyde
SMILESCC(CO)(CO)CO.COc1ccc(C=O)cc1C=O
InChIInChI=1S/C9H8O3.C5H12O3/c1-12-9-3-2-7(5-10)4-8(9)6-11;1-5(2-6,3-7)4-8/h2-6H,1H3;6-8H,2-4H2,1H3
InChIKeyYZNMPUASEOEBEQ-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.29
Rot. Bonds6

About 2-(hydroxymethyl)-2-methylpropane-1,3-diol;4-methoxybenzene-1,3-dicarbaldehyde

2-(hydroxymethyl)-2-methylpropane-1,3-diol;4-methoxybenzene-1,3-dicarbaldehyde (PubChem CID 174155559) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-methylpropane-1,3-diol;4-methoxybenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-methylpropane-1,3-diol;4-methoxybenzene-1,3-dicarbaldehyde
PubChem CID174155559
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name2-(hydroxymethyl)-2-methylpropane-1,3-diol;4-methoxybenzene-1,3-dicarbaldehyde
SMILESCC(CO)(CO)CO.COc1ccc(C=O)cc1C=O
InChIInChI=1S/C9H8O3.C5H12O3/c1-12-9-3-2-7(5-10)4-8(9)6-11;1-5(2-6,3-7)4-8/h2-6H,1H3;6-8H,2-4H2,1H3
InChIKeyYZNMPUASEOEBEQ-UHFFFAOYSA-N
XLogP0.29
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-2-methylpropane-1,3-diol;3-methoxyphthalaldehyde
CID 175477698
3-(3-formyl-4-methoxyphenyl)prop-2-enoic acid
CID 123194218
5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde
CID 71479368
3-tert-butyl-4-methoxybenzaldehyde
CID 3774604
4-(3-formyl-4-methoxyphenyl)but-3-enenitrile
CID 170799939
3-(3-formyl-4-methoxyphenyl)prop-2-enamide
CID 169481994
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
S-[3-(3-formyl-4-methoxyphenyl)prop-2-enyl] ethanethioate
CID 169457464
4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
CID 59839085
5-(4-chlorobut-1-enyl)-2-methoxybenzaldehyde
CID 170499390

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-methylpropane-1,3-diol;4-methoxybenzene-1,3-dicarbaldehyde?
The IUPAC name of 2-(hydroxymethyl)-2-methylpropane-1,3-diol;4-methoxybenzene-1,3-dicarbaldehyde (CID 174155559) is 2-(hydroxymethyl)-2-methylpropane-1,3-diol;4-methoxybenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 2-(hydroxymethyl)-2-methylpropane-1,3-diol;4-methoxybenzene-1,3-dicarbaldehyde?
The canonical SMILES for 2-(hydroxymethyl)-2-methylpropane-1,3-diol;4-methoxybenzene-1,3-dicarbaldehyde is CC(CO)(CO)CO.COc1ccc(C=O)cc1C=O.
What is the InChIKey of 2-(hydroxymethyl)-2-methylpropane-1,3-diol;4-methoxybenzene-1,3-dicarbaldehyde?
The InChIKey is YZNMPUASEOEBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3.C5H12O3/c1-12-9-3-2-7(5-10)4-8(9)6-11;1-5(2-6,3-7)4-8/h2-6H,1H3;6-8H,2-4H2,1H3.
What are the key properties of 2-(hydroxymethyl)-2-methylpropane-1,3-diol;4-methoxybenzene-1,3-dicarbaldehyde?
2-(hydroxymethyl)-2-methylpropane-1,3-diol;4-methoxybenzene-1,3-dicarbaldehyde has a molecular weight of 284.31 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-methylpropane-1,3-diol;4-methoxybenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 174155559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).