2-methyl-3-(4-methyloxan-2-yl)propanal

C10H18O2 — CID 130025863

IUPAC2-methyl-3-(4-methyloxan-2-yl)propanal
SMILESCC(C=O)CC1CC(C)CCO1
InChIInChI=1S/C10H18O2/c1-8-3-4-12-10(5-8)6-9(2)7-11/h7-10H,3-6H2,1-2H3
InChIKeyVVNMCMZNJJOQIF-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.03
Rot. Bonds3

About 2-methyl-3-(4-methyloxan-2-yl)propanal

2-methyl-3-(4-methyloxan-2-yl)propanal (PubChem CID 130025863) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methyl-3-(4-methyloxan-2-yl)propanal.

Molecular Properties

Compound Name2-methyl-3-(4-methyloxan-2-yl)propanal
PubChem CID130025863
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methyl-3-(4-methyloxan-2-yl)propanal
SMILESCC(C=O)CC1CC(C)CCO1
InChIInChI=1S/C10H18O2/c1-8-3-4-12-10(5-8)6-9(2)7-11/h7-10H,3-6H2,1-2H3
InChIKeyVVNMCMZNJJOQIF-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S)-4-methyl-2-(2-methylpropyl)oxane
CID 12684606
2-methyl-3-(oxiran-2-yl)propanal
CID 91185266
(4R)-2-(fluoromethyl)-4-methyloxane
CID 170380668
4-methyl-2-(2,3,3-trichloroprop-2-enyl)oxane
CID 54001298
2-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol
CID 11159712
4-chloro-2-(2-methylpropyl)oxane
CID 13087279
3-(3,4-dimethylcyclohexyl)-2-methylpropanal
CID 64737892
2-methylpropane;4-methyl-2-propan-2-yloxane
CID 145025500
2-(2,4-dimethylpentan-3-yl)-4-methyloxane
CID 176760513
(4R)-2,4-dimethyloxane
CID 129313541
1-(oxetan-2-yl)propan-2-amine
CID 84647721
(2S,4S)-4-ethenyl-2-(2-methylpropyl)oxane
CID 166930906

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methyloxan-2-yl)propanal?
The IUPAC name of 2-methyl-3-(4-methyloxan-2-yl)propanal (CID 130025863) is 2-methyl-3-(4-methyloxan-2-yl)propanal.
What is the SMILES notation for 2-methyl-3-(4-methyloxan-2-yl)propanal?
The canonical SMILES for 2-methyl-3-(4-methyloxan-2-yl)propanal is CC(C=O)CC1CC(C)CCO1.
What is the InChIKey of 2-methyl-3-(4-methyloxan-2-yl)propanal?
The InChIKey is VVNMCMZNJJOQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-3-4-12-10(5-8)6-9(2)7-11/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-methyl-3-(4-methyloxan-2-yl)propanal?
2-methyl-3-(4-methyloxan-2-yl)propanal has a molecular weight of 170.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methyloxan-2-yl)propanal is sourced from PubChem (CID 130025863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).