2-[3-(methoxymethyl)-2-methylhexan-3-yl]heptanal

C16H32O2 — CID 174720723

IUPAC2-[3-(methoxymethyl)-2-methylhexan-3-yl]heptanal
SMILESCCCCCC(C=O)C(CCC)(COC)C(C)C
InChIInChI=1S/C16H32O2/c1-6-8-9-10-15(12-17)16(11-7-2,13-18-5)14(3)4/h12,14-15H,6-11,13H2,1-5H3
InChIKeyHIVZPFORQBZZAD-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.47
Rot. Bonds11

About 2-[3-(methoxymethyl)-2-methylhexan-3-yl]heptanal

2-[3-(methoxymethyl)-2-methylhexan-3-yl]heptanal (PubChem CID 174720723) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)-2-methylhexan-3-yl]heptanal.

Molecular Properties

Compound Name2-[3-(methoxymethyl)-2-methylhexan-3-yl]heptanal
PubChem CID174720723
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2-[3-(methoxymethyl)-2-methylhexan-3-yl]heptanal
SMILESCCCCCC(C=O)C(CCC)(COC)C(C)C
InChIInChI=1S/C16H32O2/c1-6-8-9-10-15(12-17)16(11-7-2,13-18-5)14(3)4/h12,14-15H,6-11,13H2,1-5H3
InChIKeyHIVZPFORQBZZAD-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3-(methoxymethyl)-2-methylhexan-3-yl]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

2-(trifluoromethyl)nonanal
CID 85157454
2-(1,1,2,2,2-pentachloroethyl)heptanal
CID 102588021
3,4-dimethyl-5-propan-2-yl-5-propylnonane
CID 173277226
2-methyldodecanal
CID 87784106
3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane
CID 22372611
10,10-di(propan-2-yl)octacosane
CID 152510996
2-sulfanyltridecanal
CID 134564742
4-[ethoxy(dimethoxy)methyl]dodec-2-ene
CID 158734367
2-(methoxymethyl)-2-propan-2-yldecan-1-amine
CID 139968822
2-undecylpropanedial
CID 20505732
2-(methoxymethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 139652134
3-hydroxy-2-octyl-3-(2-trimethylsilylethynyl)decanal
CID 11731684

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)-2-methylhexan-3-yl]heptanal?
The IUPAC name of 2-[3-(methoxymethyl)-2-methylhexan-3-yl]heptanal (CID 174720723) is 2-[3-(methoxymethyl)-2-methylhexan-3-yl]heptanal.
What is the SMILES notation for 2-[3-(methoxymethyl)-2-methylhexan-3-yl]heptanal?
The canonical SMILES for 2-[3-(methoxymethyl)-2-methylhexan-3-yl]heptanal is CCCCCC(C=O)C(CCC)(COC)C(C)C.
What is the InChIKey of 2-[3-(methoxymethyl)-2-methylhexan-3-yl]heptanal?
The InChIKey is HIVZPFORQBZZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-6-8-9-10-15(12-17)16(11-7-2,13-18-5)14(3)4/h12,14-15H,6-11,13H2,1-5H3.
What are the key properties of 2-[3-(methoxymethyl)-2-methylhexan-3-yl]heptanal?
2-[3-(methoxymethyl)-2-methylhexan-3-yl]heptanal has a molecular weight of 256.43 g/mol, XLogP of 4.47, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)-2-methylhexan-3-yl]heptanal is sourced from PubChem (CID 174720723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).