5,12-dimethyl-oxacyclododecan-2-one

C13H24O2 — CID 162413653

IUPAC5,12-dimethyl-oxacyclododecan-2-one
SMILESCC1CCCCCCC(C)OC(=O)CC1
InChIInChI=1S/C13H24O2/c1-11-7-5-3-4-6-8-12(2)15-13(14)10-9-11/h11-12H,3-10H2,1-2H3
InChIKeyFEKGDTPWZRUESH-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.69
Rot. Bonds

About 5,12-dimethyl-oxacyclododecan-2-one

5,12-dimethyl-oxacyclododecan-2-one (PubChem CID 162413653) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 5,12-dimethyl-oxacyclododecan-2-one.

Molecular Properties

Compound Name5,12-dimethyl-oxacyclododecan-2-one
PubChem CID162413653
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name5,12-dimethyl-oxacyclododecan-2-one
SMILESCC1CCCCCCC(C)OC(=O)CC1
InChIInChI=1S/C13H24O2/c1-11-7-5-3-4-6-8-12(2)15-13(14)10-9-11/h11-12H,3-10H2,1-2H3
InChIKeyFEKGDTPWZRUESH-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

(15S)-15-methyl-oxacyclopentadecan-2-one
CID 86278289
(16R)-16-methyl-oxacyclohexadecan-2-one
CID 10978020
(14R)-14-methyl-oxacyclotetradecan-2-one
CID 11009676
6-methyloxan-2-one;5-methyloxolan-2-one
CID 142135496
6-methyloxan-2-one
CID 160564586
5-methyloxolan-2-one
CID 69397003
(6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one
CID 10857106
9-methyl-1,8-dioxacyclohexadecane-2,7-dione
CID 67348621
(6Z,12S)-12-methyl-1-oxacyclododec-6-en-2-one
CID 163188101
6-methyloxan-2-one;oxepan-2-one
CID 167589650
trans-(4S,14S)-4-hydroxy-14-methyl-oxacyclotetradecan-2-one
CID 10377093
(10Z,13Z)-18-methyl-1-oxacyclooctadeca-10,13-dien-2-one
CID 165161785

Frequently Asked Questions

What is the IUPAC name of 5,12-dimethyl-oxacyclododecan-2-one?
The IUPAC name of 5,12-dimethyl-oxacyclododecan-2-one (CID 162413653) is 5,12-dimethyl-oxacyclododecan-2-one.
What is the SMILES notation for 5,12-dimethyl-oxacyclododecan-2-one?
The canonical SMILES for 5,12-dimethyl-oxacyclododecan-2-one is CC1CCCCCCC(C)OC(=O)CC1.
What is the InChIKey of 5,12-dimethyl-oxacyclododecan-2-one?
The InChIKey is FEKGDTPWZRUESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-11-7-5-3-4-6-8-12(2)15-13(14)10-9-11/h11-12H,3-10H2,1-2H3.
What are the key properties of 5,12-dimethyl-oxacyclododecan-2-one?
5,12-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 5,12-dimethyl-oxacyclododecan-2-one is sourced from PubChem (CID 162413653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).