3,12-dimethyl-oxacyclododecan-2-one

C13H24O2 — CID 12892293

IUPAC3,12-dimethyl-oxacyclododecan-2-one
SMILESCC1CCCCCCCCC(C)C(=O)O1
InChIInChI=1S/C13H24O2/c1-11-9-7-5-3-4-6-8-10-12(2)15-13(11)14/h11-12H,3-10H2,1-2H3
InChIKeyZRQBSGAORQLAIQ-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.69
Rot. Bonds

About 3,12-dimethyl-oxacyclododecan-2-one

3,12-dimethyl-oxacyclododecan-2-one (PubChem CID 12892293) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3,12-dimethyl-oxacyclododecan-2-one.

Molecular Properties

Compound Name3,12-dimethyl-oxacyclododecan-2-one
PubChem CID12892293
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3,12-dimethyl-oxacyclododecan-2-one
SMILESCC1CCCCCCCCC(C)C(=O)O1
InChIInChI=1S/C13H24O2/c1-11-9-7-5-3-4-6-8-10-12(2)15-13(11)14/h11-12H,3-10H2,1-2H3
InChIKeyZRQBSGAORQLAIQ-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl cyclohexanoate
CID 18686
Isopropyl dodecanoate
CID 25068
3-Methylbutyl octanoate
CID 16255
Isoamyl decanoate
CID 75320
Bis(2-ethylhexyl) azelate
CID 7642
Diisodecyl Adipate
CID 33733
Ethyl cyclohexane propionate
CID 61466
Isoamyl Laurate
CID 61386
Isobutyl octanoate
CID 79582
Isobutyl decanoate
CID 121738
Isoamyl palmitate
CID 3019031
Isopropyl caprate
CID 16833

Frequently Asked Questions

What is the IUPAC name of 3,12-dimethyl-oxacyclododecan-2-one?
The IUPAC name of 3,12-dimethyl-oxacyclododecan-2-one (CID 12892293) is 3,12-dimethyl-oxacyclododecan-2-one.
What is the SMILES notation for 3,12-dimethyl-oxacyclododecan-2-one?
The canonical SMILES for 3,12-dimethyl-oxacyclododecan-2-one is CC1CCCCCCCCC(C)C(=O)O1.
What is the InChIKey of 3,12-dimethyl-oxacyclododecan-2-one?
The InChIKey is ZRQBSGAORQLAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-11-9-7-5-3-4-6-8-10-12(2)15-13(11)14/h11-12H,3-10H2,1-2H3.
What are the key properties of 3,12-dimethyl-oxacyclododecan-2-one?
3,12-dimethyl-oxacyclododecan-2-one has a molecular weight of 212.33 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,12-dimethyl-oxacyclododecan-2-one is sourced from PubChem (CID 12892293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).