3-methoxy-2-(2-methylpropyl)heptanal

C12H24O2 — CID 174714500

IUPAC3-methoxy-2-(2-methylpropyl)heptanal
SMILESCCCCC(OC)C(C=O)CC(C)C
InChIInChI=1S/C12H24O2/c1-5-6-7-12(14-4)11(9-13)8-10(2)3/h9-12H,5-8H2,1-4H3
InChIKeyVAQIZLKUCGJOBO-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.05
Rot. Bonds8

About 3-methoxy-2-(2-methylpropyl)heptanal

3-methoxy-2-(2-methylpropyl)heptanal (PubChem CID 174714500) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-methoxy-2-(2-methylpropyl)heptanal.

Molecular Properties

Compound Name3-methoxy-2-(2-methylpropyl)heptanal
PubChem CID174714500
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-methoxy-2-(2-methylpropyl)heptanal
SMILESCCCCC(OC)C(C=O)CC(C)C
InChIInChI=1S/C12H24O2/c1-5-6-7-12(14-4)11(9-13)8-10(2)3/h9-12H,5-8H2,1-4H3
InChIKeyVAQIZLKUCGJOBO-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methoxy-2-(2-methylpropyl)heptanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butan-2-yl-3-methoxyoctanal
CID 145134954
(9R,10R)-10-ethenyl-9-methoxynonadecane
CID 102492829
2-(diaminomethyl)hexanal
CID 174437838
3-methoxy-4-methylnonanal
CID 87291495
2-[(1S)-1-hydroxy-2-methylpropyl]hexanal
CID 91360122
2-(difluoromethyl)-4-methylpentanal
CID 84763181
4-iodo-2-methyloctane
CID 174582268
cyclohexane;2-methylhexane;2-methylpropanal
CID 160719053
2-(dihydroxymethyl)heptanal
CID 174908382
(4S,5S)-4-methoxy-5-methylnon-1-ene
CID 57218264
(7R)-7-methoxy-2-methylundecane
CID 118890177
magnesium;hydride;2-methylhexanal
CID 175489752

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methylpropyl)heptanal?
The IUPAC name of 3-methoxy-2-(2-methylpropyl)heptanal (CID 174714500) is 3-methoxy-2-(2-methylpropyl)heptanal.
What is the SMILES notation for 3-methoxy-2-(2-methylpropyl)heptanal?
The canonical SMILES for 3-methoxy-2-(2-methylpropyl)heptanal is CCCCC(OC)C(C=O)CC(C)C.
What is the InChIKey of 3-methoxy-2-(2-methylpropyl)heptanal?
The InChIKey is VAQIZLKUCGJOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-6-7-12(14-4)11(9-13)8-10(2)3/h9-12H,5-8H2,1-4H3.
What are the key properties of 3-methoxy-2-(2-methylpropyl)heptanal?
3-methoxy-2-(2-methylpropyl)heptanal has a molecular weight of 200.32 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methylpropyl)heptanal is sourced from PubChem (CID 174714500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).