(3R)-3,14-dimethyl-oxacyclotetradecane-2,4-dione

C15H26O3 — CID 177462972

IUPAC(3R)-3,14-dimethyl-oxacyclotetradecane-2,4-dione
SMILESCC1CCCCCCCCCC(=O)[C@@H](C)C(=O)O1
InChIInChI=1S/C15H26O3/c1-12-10-8-6-4-3-5-7-9-11-14(16)13(2)15(17)18-12/h12-13H,3-11H2,1-2H3/t12?,13-/m1/s1
InChIKeyHEJTYYXLNPTUPO-ZGTCLIOFSA-N
MW254.37 g/mol
LogP3.65
Rot. Bonds

About (3R)-3,14-dimethyl-oxacyclotetradecane-2,4-dione

(3R)-3,14-dimethyl-oxacyclotetradecane-2,4-dione (PubChem CID 177462972) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3R)-3,14-dimethyl-oxacyclotetradecane-2,4-dione.

Molecular Properties

Compound Name(3R)-3,14-dimethyl-oxacyclotetradecane-2,4-dione
PubChem CID177462972
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(3R)-3,14-dimethyl-oxacyclotetradecane-2,4-dione
SMILESCC1CCCCCCCCCC(=O)[C@@H](C)C(=O)O1
InChIInChI=1S/C15H26O3/c1-12-10-8-6-4-3-5-7-9-11-14(16)13(2)15(17)18-12/h12-13H,3-11H2,1-2H3/t12?,13-/m1/s1
InChIKeyHEJTYYXLNPTUPO-ZGTCLIOFSA-N
XLogP3.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3,14-dimethyl-oxacyclotetradecane-2,4-dione?
The IUPAC name of (3R)-3,14-dimethyl-oxacyclotetradecane-2,4-dione (CID 177462972) is (3R)-3,14-dimethyl-oxacyclotetradecane-2,4-dione.
What is the SMILES notation for (3R)-3,14-dimethyl-oxacyclotetradecane-2,4-dione?
The canonical SMILES for (3R)-3,14-dimethyl-oxacyclotetradecane-2,4-dione is CC1CCCCCCCCCC(=O)[C@@H](C)C(=O)O1.
What is the InChIKey of (3R)-3,14-dimethyl-oxacyclotetradecane-2,4-dione?
The InChIKey is HEJTYYXLNPTUPO-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H26O3/c1-12-10-8-6-4-3-5-7-9-11-14(16)13(2)15(17)18-12/h12-13H,3-11H2,1-2H3/t12?,13-/m1/s1.
What are the key properties of (3R)-3,14-dimethyl-oxacyclotetradecane-2,4-dione?
(3R)-3,14-dimethyl-oxacyclotetradecane-2,4-dione has a molecular weight of 254.37 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,14-dimethyl-oxacyclotetradecane-2,4-dione is sourced from PubChem (CID 177462972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).