12-methyl-oxacyclododecan-2-one

C12H22O2 — CID 543499

IUPAC12-methyl-oxacyclododecan-2-one
SMILESCC1CCCCCCCCCC(=O)O1
InChIInChI=1S/C12H22O2/c1-11-9-7-5-3-2-4-6-8-10-12(13)14-11/h11H,2-10H2,1H3
InChIKeyIBLSRZGJYAOPLB-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.44
Rot. Bonds

About 12-methyl-oxacyclododecan-2-one

12-methyl-oxacyclododecan-2-one (PubChem CID 543499) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 12-methyl-oxacyclododecan-2-one.

Molecular Properties

Compound Name12-methyl-oxacyclododecan-2-one
PubChem CID543499
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name12-methyl-oxacyclododecan-2-one
SMILESCC1CCCCCCCCCC(=O)O1
InChIInChI=1S/C12H22O2/c1-11-9-7-5-3-2-4-6-8-10-12(13)14-11/h11H,2-10H2,1H3
InChIKeyIBLSRZGJYAOPLB-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-oxacyclododecan-2-one?
The IUPAC name of 12-methyl-oxacyclododecan-2-one (CID 543499) is 12-methyl-oxacyclododecan-2-one.
What is the SMILES notation for 12-methyl-oxacyclododecan-2-one?
The canonical SMILES for 12-methyl-oxacyclododecan-2-one is CC1CCCCCCCCCC(=O)O1.
What is the InChIKey of 12-methyl-oxacyclododecan-2-one?
The InChIKey is IBLSRZGJYAOPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-11-9-7-5-3-2-4-6-8-10-12(13)14-11/h11H,2-10H2,1H3.
What are the key properties of 12-methyl-oxacyclododecan-2-one?
12-methyl-oxacyclododecan-2-one has a molecular weight of 198.31 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-oxacyclododecan-2-one is sourced from PubChem (CID 543499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).