8-(methoxymethyl)-12-methyl-4-propan-2-yltridecan-5-one

C19H38O2 — CID 87205124

IUPAC8-(methoxymethyl)-12-methyl-4-propan-2-yltridecan-5-one
SMILESCCCC(C(=O)CCC(CCCC(C)C)COC)C(C)C
InChIInChI=1S/C19H38O2/c1-7-9-18(16(4)5)19(20)13-12-17(14-21-6)11-8-10-15(2)3/h15-18H,7-14H2,1-6H3
InChIKeyMFJILTIOYBJMNH-UHFFFAOYSA-N
MW298.51 g/mol
LogP5.50
Rot. Bonds13

About 8-(methoxymethyl)-12-methyl-4-propan-2-yltridecan-5-one

8-(methoxymethyl)-12-methyl-4-propan-2-yltridecan-5-one (PubChem CID 87205124) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 8-(methoxymethyl)-12-methyl-4-propan-2-yltridecan-5-one.

Molecular Properties

Compound Name8-(methoxymethyl)-12-methyl-4-propan-2-yltridecan-5-one
PubChem CID87205124
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name8-(methoxymethyl)-12-methyl-4-propan-2-yltridecan-5-one
SMILESCCCC(C(=O)CCC(CCCC(C)C)COC)C(C)C
InChIInChI=1S/C19H38O2/c1-7-9-18(16(4)5)19(20)13-12-17(14-21-6)11-8-10-15(2)3/h15-18H,7-14H2,1-6H3
InChIKeyMFJILTIOYBJMNH-UHFFFAOYSA-N
XLogP5.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(8R)-8-(methoxymethyl)-2-methylundecane
CID 118890150
(4R)-4-propan-2-ylheptan-3-one
CID 95003187
6-(methoxymethyl)dec-1-en-3-one
CID 123986515
5-O-[2-(2-methoxyethyl)heptyl] 1-O-(4-methylpentyl) pentanedioate
CID 91708266
3-(aminomethyl)-2,8-dimethylnonan-4-one
CID 116573959
5-(methoxymethyl)decane
CID 123387036
19-(methoxymethyl)heptatriacontane
CID 59499210
ethane;4-(methoxymethyl)heptane;propane
CID 168880885
(5-methyl-2-propylhexyl) 16-methylheptadecanoate
CID 152598986
7-(methoxymethyl)nonan-4-one
CID 123531318
3,7-dimethyloctyl pentanoate
CID 3022687
2-ethylhexyl 5-methylhexanoate
CID 129117635

Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-12-methyl-4-propan-2-yltridecan-5-one?
The IUPAC name of 8-(methoxymethyl)-12-methyl-4-propan-2-yltridecan-5-one (CID 87205124) is 8-(methoxymethyl)-12-methyl-4-propan-2-yltridecan-5-one.
What is the SMILES notation for 8-(methoxymethyl)-12-methyl-4-propan-2-yltridecan-5-one?
The canonical SMILES for 8-(methoxymethyl)-12-methyl-4-propan-2-yltridecan-5-one is CCCC(C(=O)CCC(CCCC(C)C)COC)C(C)C.
What is the InChIKey of 8-(methoxymethyl)-12-methyl-4-propan-2-yltridecan-5-one?
The InChIKey is MFJILTIOYBJMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-7-9-18(16(4)5)19(20)13-12-17(14-21-6)11-8-10-15(2)3/h15-18H,7-14H2,1-6H3.
What are the key properties of 8-(methoxymethyl)-12-methyl-4-propan-2-yltridecan-5-one?
8-(methoxymethyl)-12-methyl-4-propan-2-yltridecan-5-one has a molecular weight of 298.51 g/mol, XLogP of 5.50, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-12-methyl-4-propan-2-yltridecan-5-one is sourced from PubChem (CID 87205124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).