(2,10-dimethyl-4-oxoundecan-6-yl) acetate

C15H28O3 — CID 148647340

IUPAC(2,10-dimethyl-4-oxoundecan-6-yl) acetate
SMILESCC(=O)OC(CCCC(C)C)CC(=O)CC(C)C
InChIInChI=1S/C15H28O3/c1-11(2)7-6-8-15(18-13(5)16)10-14(17)9-12(3)4/h11-12,15H,6-10H2,1-5H3
InChIKeyNLFKEDKJQYUNQE-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.75
Rot. Bonds9

About (2,10-dimethyl-4-oxoundecan-6-yl) acetate

(2,10-dimethyl-4-oxoundecan-6-yl) acetate (PubChem CID 148647340) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2,10-dimethyl-4-oxoundecan-6-yl) acetate.

Molecular Properties

Compound Name(2,10-dimethyl-4-oxoundecan-6-yl) acetate
PubChem CID148647340
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(2,10-dimethyl-4-oxoundecan-6-yl) acetate
SMILESCC(=O)OC(CCCC(C)C)CC(=O)CC(C)C
InChIInChI=1S/C15H28O3/c1-11(2)7-6-8-15(18-13(5)16)10-14(17)9-12(3)4/h11-12,15H,6-10H2,1-5H3
InChIKeyNLFKEDKJQYUNQE-UHFFFAOYSA-N
XLogP3.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[7-methyl-1-(methylamino)-1-oxooctan-3-yl] acetate
CID 88588180
acetic acid;2,6-dimethylheptan-4-one
CID 135383464
2,6-dimethylheptan-4-one;5-methylhexan-2-one
CID 88697321
[(2R,6R)-6-acetyloxyheptan-2-yl] acetate
CID 100950858
[(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate
CID 54562793
(3R)-3-acetyloxynonanoic acid
CID 54016264
chloromethane;2,6-dimethylheptan-4-one
CID 174654113
ethyl 12-acetyloxy-8-carbamoyl-16-methylheptadecanoate
CID 21401702
2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate
CID 142686582
2,6-dimethylheptan-4-one;pentyl acetate
CID 88815100
2-acetyloxyhexyl(chloro)mercury
CID 71329311
(313C)heptan-4-yl acetate
CID 117065532

Frequently Asked Questions

What is the IUPAC name of (2,10-dimethyl-4-oxoundecan-6-yl) acetate?
The IUPAC name of (2,10-dimethyl-4-oxoundecan-6-yl) acetate (CID 148647340) is (2,10-dimethyl-4-oxoundecan-6-yl) acetate.
What is the SMILES notation for (2,10-dimethyl-4-oxoundecan-6-yl) acetate?
The canonical SMILES for (2,10-dimethyl-4-oxoundecan-6-yl) acetate is CC(=O)OC(CCCC(C)C)CC(=O)CC(C)C.
What is the InChIKey of (2,10-dimethyl-4-oxoundecan-6-yl) acetate?
The InChIKey is NLFKEDKJQYUNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-11(2)7-6-8-15(18-13(5)16)10-14(17)9-12(3)4/h11-12,15H,6-10H2,1-5H3.
What are the key properties of (2,10-dimethyl-4-oxoundecan-6-yl) acetate?
(2,10-dimethyl-4-oxoundecan-6-yl) acetate has a molecular weight of 256.39 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,10-dimethyl-4-oxoundecan-6-yl) acetate is sourced from PubChem (CID 148647340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).