2-methyl-4-[(2-methylpropan-2-yl)oxy]-1,3-dioxane-2-carbaldehyde

C10H18O4 — CID 175128508

IUPAC2-methyl-4-[(2-methylpropan-2-yl)oxy]-1,3-dioxane-2-carbaldehyde
SMILESCC(C)(C)OC1CCOC(C)(C=O)O1
InChIInChI=1S/C10H18O4/c1-9(2,3)13-8-5-6-12-10(4,7-11)14-8/h7-8H,5-6H2,1-4H3
InChIKeyIFBJHSAAHRBBDT-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.48
Rot. Bonds2

About 2-methyl-4-[(2-methylpropan-2-yl)oxy]-1,3-dioxane-2-carbaldehyde

2-methyl-4-[(2-methylpropan-2-yl)oxy]-1,3-dioxane-2-carbaldehyde (PubChem CID 175128508) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylpropan-2-yl)oxy]-1,3-dioxane-2-carbaldehyde.

Molecular Properties

Compound Name2-methyl-4-[(2-methylpropan-2-yl)oxy]-1,3-dioxane-2-carbaldehyde
PubChem CID175128508
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-methyl-4-[(2-methylpropan-2-yl)oxy]-1,3-dioxane-2-carbaldehyde
SMILESCC(C)(C)OC1CCOC(C)(C=O)O1
InChIInChI=1S/C10H18O4/c1-9(2,3)13-8-5-6-12-10(4,7-11)14-8/h7-8H,5-6H2,1-4H3
InChIKeyIFBJHSAAHRBBDT-UHFFFAOYSA-N
XLogP1.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylcyclopentan-1-ol;2-methyl-1,3-dioxolane-2-carbaldehyde;2-methylpropan-2-ol
CID 144511692
(2S,3aR,4S,7aS)-2-methoxy-3a-methyl-4-[(2-methylpropan-2-yl)oxy]-2,3,4,5,6,7-hexahydro-1-benzofuran-7a-carbaldehyde
CID 102586486
2-[(4aS,5S,6S,8aS)-2,2,5-trimethyl-6-[(2-methylpropan-2-yl)oxy]-4,4a,6,7,8,8a-hexahydrobenzo[d][1,3]dioxin-5-yl]acetaldehyde
CID 10968542
2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 10953638
oxetan-2-yl formate
CID 54348589
2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine
CID 103581336
tert-butyl 2-[3-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enoxy]acetate
CID 123559592
tert-butyl formate;(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine
CID 174484785
2-[(9S)-6,10-dioxaspiro[4.5]decan-9-yl]-2-methylpropanal
CID 57217983
(4aR,5S,8aR)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-2-oxo-3,4,5,6,7,8-hexahydrochromene-8a-carbaldehyde
CID 95565502
(2-ethyl-2-methyl-1,3-dioxan-4-yl) prop-2-enoate
CID 175513416
trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane
CID 66800520

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylpropan-2-yl)oxy]-1,3-dioxane-2-carbaldehyde?
The IUPAC name of 2-methyl-4-[(2-methylpropan-2-yl)oxy]-1,3-dioxane-2-carbaldehyde (CID 175128508) is 2-methyl-4-[(2-methylpropan-2-yl)oxy]-1,3-dioxane-2-carbaldehyde.
What is the SMILES notation for 2-methyl-4-[(2-methylpropan-2-yl)oxy]-1,3-dioxane-2-carbaldehyde?
The canonical SMILES for 2-methyl-4-[(2-methylpropan-2-yl)oxy]-1,3-dioxane-2-carbaldehyde is CC(C)(C)OC1CCOC(C)(C=O)O1.
What is the InChIKey of 2-methyl-4-[(2-methylpropan-2-yl)oxy]-1,3-dioxane-2-carbaldehyde?
The InChIKey is IFBJHSAAHRBBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-9(2,3)13-8-5-6-12-10(4,7-11)14-8/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methyl-4-[(2-methylpropan-2-yl)oxy]-1,3-dioxane-2-carbaldehyde?
2-methyl-4-[(2-methylpropan-2-yl)oxy]-1,3-dioxane-2-carbaldehyde has a molecular weight of 202.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methylpropan-2-yl)oxy]-1,3-dioxane-2-carbaldehyde is sourced from PubChem (CID 175128508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).