3-methyl-6-nonan-2-yloxyheptan-2-one

C17H34O2 — CID 88917406

IUPAC3-methyl-6-nonan-2-yloxyheptan-2-one
SMILESCCCCCCCC(C)OC(C)CCC(C)C(C)=O
InChIInChI=1S/C17H34O2/c1-6-7-8-9-10-11-15(3)19-16(4)13-12-14(2)17(5)18/h14-16H,6-13H2,1-5H3
InChIKeyNMTWFDHUJMNETN-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.15
Rot. Bonds12

About 3-methyl-6-nonan-2-yloxyheptan-2-one

3-methyl-6-nonan-2-yloxyheptan-2-one (PubChem CID 88917406) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-methyl-6-nonan-2-yloxyheptan-2-one.

Molecular Properties

Compound Name3-methyl-6-nonan-2-yloxyheptan-2-one
PubChem CID88917406
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name3-methyl-6-nonan-2-yloxyheptan-2-one
SMILESCCCCCCCC(C)OC(C)CCC(C)C(C)=O
InChIInChI=1S/C17H34O2/c1-6-7-8-9-10-11-15(3)19-16(4)13-12-14(2)17(5)18/h14-16H,6-13H2,1-5H3
InChIKeyNMTWFDHUJMNETN-UHFFFAOYSA-N
XLogP5.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyltridecan-2-one
CID 58341645
3-methyloctadecan-2-one
CID 89177698
3-methylundecan-2-one
CID 12634600
(3R)-3-methyloctan-2-one
CID 158725350
7-hydroxy-3-methyldodecan-2-one
CID 91423870
pentacosan-2-yl acetate
CID 173416941
2-octan-2-yloxyoctane;propane-1,2-diol
CID 174594083
dodecan-2-yl carbamate
CID 87166225
nonan-2-yl carbamate
CID 19093303
octadecan-2-yl 2-methylnonadecanoate
CID 58960721
heptane;2-methylheptadecanoic acid
CID 175511035
(Z)-19-[(Z)-icos-11-en-2-yl]oxyicos-9-ene
CID 88819107

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-nonan-2-yloxyheptan-2-one?
The IUPAC name of 3-methyl-6-nonan-2-yloxyheptan-2-one (CID 88917406) is 3-methyl-6-nonan-2-yloxyheptan-2-one.
What is the SMILES notation for 3-methyl-6-nonan-2-yloxyheptan-2-one?
The canonical SMILES for 3-methyl-6-nonan-2-yloxyheptan-2-one is CCCCCCCC(C)OC(C)CCC(C)C(C)=O.
What is the InChIKey of 3-methyl-6-nonan-2-yloxyheptan-2-one?
The InChIKey is NMTWFDHUJMNETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-6-7-8-9-10-11-15(3)19-16(4)13-12-14(2)17(5)18/h14-16H,6-13H2,1-5H3.
What are the key properties of 3-methyl-6-nonan-2-yloxyheptan-2-one?
3-methyl-6-nonan-2-yloxyheptan-2-one has a molecular weight of 270.46 g/mol, XLogP of 5.15, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-nonan-2-yloxyheptan-2-one is sourced from PubChem (CID 88917406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).