(3S)-3-(methoxymethoxy)decan-2-one

C12H24O3 — CID 101223791

IUPAC(3S)-3-(methoxymethoxy)decan-2-one
SMILESCCCCCCC[C@H](OCOC)C(C)=O
InChIInChI=1S/C12H24O3/c1-4-5-6-7-8-9-12(11(2)13)15-10-14-3/h12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyPCJDXBWMDISWEX-LBPRGKRZSA-N
MW216.32 g/mol
LogP2.92
Rot. Bonds10

About (3S)-3-(methoxymethoxy)decan-2-one

(3S)-3-(methoxymethoxy)decan-2-one (PubChem CID 101223791) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is (3S)-3-(methoxymethoxy)decan-2-one.

Molecular Properties

Compound Name(3S)-3-(methoxymethoxy)decan-2-one
PubChem CID101223791
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name(3S)-3-(methoxymethoxy)decan-2-one
SMILESCCCCCCC[C@H](OCOC)C(C)=O
InChIInChI=1S/C12H24O3/c1-4-5-6-7-8-9-12(11(2)13)15-10-14-3/h12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyPCJDXBWMDISWEX-LBPRGKRZSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-ethoxyundecan-2-one
CID 10262699
3-(methoxymethoxy)-2-methylnon-1-ene
CID 542508
[(3S)-2-oxooctan-3-yl] acetate
CID 134963991
2-(methoxymethoxy)nonane
CID 13203850
2-methoxyhexadecanoic acid
CID 656825
2-methoxytetracosanoic acid
CID 10453501
2-methoxypentacosanoic acid
CID 10476799
(2R,3R)-3-(methoxymethoxy)octadecan-2-ol
CID 102259146
(5S)-5-(methoxymethoxy)hexadecan-1-ol
CID 134973522
decan-2-yl (2S)-3,3,3-trifluoro-2-(methoxymethoxy)propanoate
CID 15468347
octan-2-yl (2S)-3,3,3-trifluoro-2-(methoxymethoxy)propanoate
CID 101034855
ethyl (4S)-4-(methoxymethoxy)octadecanoate
CID 71567301

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethoxy)decan-2-one?
The IUPAC name of (3S)-3-(methoxymethoxy)decan-2-one (CID 101223791) is (3S)-3-(methoxymethoxy)decan-2-one.
What is the SMILES notation for (3S)-3-(methoxymethoxy)decan-2-one?
The canonical SMILES for (3S)-3-(methoxymethoxy)decan-2-one is CCCCCCC[C@H](OCOC)C(C)=O.
What is the InChIKey of (3S)-3-(methoxymethoxy)decan-2-one?
The InChIKey is PCJDXBWMDISWEX-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H24O3/c1-4-5-6-7-8-9-12(11(2)13)15-10-14-3/h12H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (3S)-3-(methoxymethoxy)decan-2-one?
(3S)-3-(methoxymethoxy)decan-2-one has a molecular weight of 216.32 g/mol, XLogP of 2.92, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethoxy)decan-2-one is sourced from PubChem (CID 101223791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).