13-methyl-1-oxacyclopentadec-10-en-2-one

C15H26O2 — CID 54131551

IUPAC13-methyl-1-oxacyclopentadec-10-en-2-one
SMILESCC1CC=CCCCCCCCC(=O)OCC1
InChIInChI=1S/C15H26O2/c1-14-10-8-6-4-2-3-5-7-9-11-15(16)17-13-12-14/h6,8,14H,2-5,7,9-13H2,1H3
InChIKeyNUSRNVWNTPMBJA-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.25
Rot. Bonds

About 13-methyl-1-oxacyclopentadec-10-en-2-one

13-methyl-1-oxacyclopentadec-10-en-2-one (PubChem CID 54131551) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 13-methyl-1-oxacyclopentadec-10-en-2-one.

Molecular Properties

Compound Name13-methyl-1-oxacyclopentadec-10-en-2-one
PubChem CID54131551
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name13-methyl-1-oxacyclopentadec-10-en-2-one
SMILESCC1CC=CCCCCCCCC(=O)OCC1
InChIInChI=1S/C15H26O2/c1-14-10-8-6-4-2-3-5-7-9-11-15(16)17-13-12-14/h6,8,14H,2-5,7,9-13H2,1H3
InChIKeyNUSRNVWNTPMBJA-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(10Z)-13-methyl-1-oxacycloheptadec-10-en-2-one
CID 139804341
(12E)-16-methyl-1-oxacyclooctadec-12-en-2-one
CID 166881836
(4E,10E)-13-methyl-1-oxacyclohexadeca-4,10-dien-2-one
CID 88616788
35-methyl-1-oxacyclohexatriacont-28-en-2-one
CID 154573541
(23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one
CID 171118973
(25Z)-32-methyl-1-oxacyclotritriacont-25-en-2-one
CID 171118974
(10Z)-1-oxacycloheptadec-10-en-2-one
CID 5355293
(9Z)-1-oxacyclotetradec-9-en-2-one
CID 102124456
(11Z)-1-oxacyclooctadec-11-en-2-one
CID 146509910
1-oxacyclododec-9-en-2-one
CID 86140369
(10E)-1-oxacyclotridec-10-en-2-one
CID 14539994
1-oxacyclohexadec-10-en-2-one
CID 72833343

Frequently Asked Questions

What is the IUPAC name of 13-methyl-1-oxacyclopentadec-10-en-2-one?
The IUPAC name of 13-methyl-1-oxacyclopentadec-10-en-2-one (CID 54131551) is 13-methyl-1-oxacyclopentadec-10-en-2-one.
What is the SMILES notation for 13-methyl-1-oxacyclopentadec-10-en-2-one?
The canonical SMILES for 13-methyl-1-oxacyclopentadec-10-en-2-one is CC1CC=CCCCCCCCC(=O)OCC1.
What is the InChIKey of 13-methyl-1-oxacyclopentadec-10-en-2-one?
The InChIKey is NUSRNVWNTPMBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-14-10-8-6-4-2-3-5-7-9-11-15(16)17-13-12-14/h6,8,14H,2-5,7,9-13H2,1H3.
What are the key properties of 13-methyl-1-oxacyclopentadec-10-en-2-one?
13-methyl-1-oxacyclopentadec-10-en-2-one has a molecular weight of 238.37 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-1-oxacyclopentadec-10-en-2-one is sourced from PubChem (CID 54131551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).