(13R)-13-methyl-oxacyclotetradecan-2-one

C14H26O2 — CID 10376424

IUPAC(13R)-13-methyl-oxacyclotetradecan-2-one
SMILESC[C@@H]1CCCCCCCCCCC(=O)OC1
InChIInChI=1S/C14H26O2/c1-13-10-8-6-4-2-3-5-7-9-11-14(15)16-12-13/h13H,2-12H2,1H3/t13-/m1/s1
InChIKeyNFNWPPOMMYDNFQ-CYBMUJFWSA-N
MW226.36 g/mol
LogP4.08
Rot. Bonds

About (13R)-13-methyl-oxacyclotetradecan-2-one

(13R)-13-methyl-oxacyclotetradecan-2-one (PubChem CID 10376424) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (13R)-13-methyl-oxacyclotetradecan-2-one.

Molecular Properties

Compound Name(13R)-13-methyl-oxacyclotetradecan-2-one
PubChem CID10376424
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(13R)-13-methyl-oxacyclotetradecan-2-one
SMILESC[C@@H]1CCCCCCCCCCC(=O)OC1
InChIInChI=1S/C14H26O2/c1-13-10-8-6-4-2-3-5-7-9-11-14(15)16-12-13/h13H,2-12H2,1H3/t13-/m1/s1
InChIKeyNFNWPPOMMYDNFQ-CYBMUJFWSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (13R)-13-methyl-oxacyclotetradecan-2-one?
The IUPAC name of (13R)-13-methyl-oxacyclotetradecan-2-one (CID 10376424) is (13R)-13-methyl-oxacyclotetradecan-2-one.
What is the SMILES notation for (13R)-13-methyl-oxacyclotetradecan-2-one?
The canonical SMILES for (13R)-13-methyl-oxacyclotetradecan-2-one is C[C@@H]1CCCCCCCCCCC(=O)OC1.
What is the InChIKey of (13R)-13-methyl-oxacyclotetradecan-2-one?
The InChIKey is NFNWPPOMMYDNFQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H26O2/c1-13-10-8-6-4-2-3-5-7-9-11-14(15)16-12-13/h13H,2-12H2,1H3/t13-/m1/s1.
What are the key properties of (13R)-13-methyl-oxacyclotetradecan-2-one?
(13R)-13-methyl-oxacyclotetradecan-2-one has a molecular weight of 226.36 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (13R)-13-methyl-oxacyclotetradecan-2-one is sourced from PubChem (CID 10376424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).