4-(methoxymethoxy)-3,5-di(propan-2-yl)benzaldehyde

C15H22O3 — CID 19936350

IUPAC4-(methoxymethoxy)-3,5-di(propan-2-yl)benzaldehyde
SMILESCOCOc1c(C(C)C)cc(C=O)cc1C(C)C
InChIInChI=1S/C15H22O3/c1-10(2)13-6-12(8-16)7-14(11(3)4)15(13)18-9-17-5/h6-8,10-11H,9H2,1-5H3
InChIKeyOGAAXMTWTPBEFI-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.73
Rot. Bonds6

About 4-(methoxymethoxy)-3,5-di(propan-2-yl)benzaldehyde

4-(methoxymethoxy)-3,5-di(propan-2-yl)benzaldehyde (PubChem CID 19936350) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(methoxymethoxy)-3,5-di(propan-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(methoxymethoxy)-3,5-di(propan-2-yl)benzaldehyde
PubChem CID19936350
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name4-(methoxymethoxy)-3,5-di(propan-2-yl)benzaldehyde
SMILESCOCOc1c(C(C)C)cc(C=O)cc1C(C)C
InChIInChI=1S/C15H22O3/c1-10(2)13-6-12(8-16)7-14(11(3)4)15(13)18-9-17-5/h6-8,10-11H,9H2,1-5H3
InChIKeyOGAAXMTWTPBEFI-UHFFFAOYSA-N
XLogP3.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820
4-(2-morpholin-4-ylpropoxy)-3,5-di(propan-2-yl)benzaldehyde
CID 23439090
3,5-diiodo-4-(1-methoxyethoxymethoxy)benzaldehyde
CID 22237442
4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde
CID 59773278
4-hexoxy-3-propan-2-yl-5-prop-2-enylbenzaldehyde
CID 54850089
3,4-bis(methoxymethoxy)-5-(3-methylbut-2-enyl)benzaldehyde
CID 57480623
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde
CID 11334863
5-chloro-3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 104665527
2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde
CID 163233297
2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde
CID 54157105
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-3,5-di(propan-2-yl)benzaldehyde?
The IUPAC name of 4-(methoxymethoxy)-3,5-di(propan-2-yl)benzaldehyde (CID 19936350) is 4-(methoxymethoxy)-3,5-di(propan-2-yl)benzaldehyde.
What is the SMILES notation for 4-(methoxymethoxy)-3,5-di(propan-2-yl)benzaldehyde?
The canonical SMILES for 4-(methoxymethoxy)-3,5-di(propan-2-yl)benzaldehyde is COCOc1c(C(C)C)cc(C=O)cc1C(C)C.
What is the InChIKey of 4-(methoxymethoxy)-3,5-di(propan-2-yl)benzaldehyde?
The InChIKey is OGAAXMTWTPBEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10(2)13-6-12(8-16)7-14(11(3)4)15(13)18-9-17-5/h6-8,10-11H,9H2,1-5H3.
What are the key properties of 4-(methoxymethoxy)-3,5-di(propan-2-yl)benzaldehyde?
4-(methoxymethoxy)-3,5-di(propan-2-yl)benzaldehyde has a molecular weight of 250.34 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-3,5-di(propan-2-yl)benzaldehyde is sourced from PubChem (CID 19936350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).