15,15,17,17,18,18-hexamethyl-1-oxacyclooctadec-13-en-2-one

C23H42O2 — CID 123798479

IUPAC15,15,17,17,18,18-hexamethyl-1-oxacyclooctadec-13-en-2-one
SMILESCC1(C)C=CCCCCCCCCCCC(=O)OC(C)(C)C(C)(C)C1
InChIInChI=1S/C23H42O2/c1-21(2)18-16-14-12-10-8-7-9-11-13-15-17-20(24)25-23(5,6)22(3,4)19-21/h16,18H,7-15,17,19H2,1-6H3
InChIKeyDNRVAKBMXDWKKW-UHFFFAOYSA-N
MW350.59 g/mol
LogP7.22
Rot. Bonds

About 15,15,17,17,18,18-hexamethyl-1-oxacyclooctadec-13-en-2-one

15,15,17,17,18,18-hexamethyl-1-oxacyclooctadec-13-en-2-one (PubChem CID 123798479) has the molecular formula C23H42O2 and a molecular weight of 350.59 g/mol. Its IUPAC name is 15,15,17,17,18,18-hexamethyl-1-oxacyclooctadec-13-en-2-one.

Molecular Properties

Compound Name15,15,17,17,18,18-hexamethyl-1-oxacyclooctadec-13-en-2-one
PubChem CID123798479
Molecular FormulaC23H42O2
Molecular Weight350.59 g/mol
Exact Mass350.32
IUPAC Name15,15,17,17,18,18-hexamethyl-1-oxacyclooctadec-13-en-2-one
SMILESCC1(C)C=CCCCCCCCCCCC(=O)OC(C)(C)C(C)(C)C1
InChIInChI=1S/C23H42O2/c1-21(2)18-16-14-12-10-8-7-9-11-13-15-17-20(24)25-23(5,6)22(3,4)19-21/h16,18H,7-15,17,19H2,1-6H3
InChIKeyDNRVAKBMXDWKKW-UHFFFAOYSA-N
XLogP7.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 15,15,17,17,18,18-hexamethyl-1-oxacyclooctadec-13-en-2-one?
The IUPAC name of 15,15,17,17,18,18-hexamethyl-1-oxacyclooctadec-13-en-2-one (CID 123798479) is 15,15,17,17,18,18-hexamethyl-1-oxacyclooctadec-13-en-2-one.
What is the SMILES notation for 15,15,17,17,18,18-hexamethyl-1-oxacyclooctadec-13-en-2-one?
The canonical SMILES for 15,15,17,17,18,18-hexamethyl-1-oxacyclooctadec-13-en-2-one is CC1(C)C=CCCCCCCCCCCC(=O)OC(C)(C)C(C)(C)C1.
What is the InChIKey of 15,15,17,17,18,18-hexamethyl-1-oxacyclooctadec-13-en-2-one?
The InChIKey is DNRVAKBMXDWKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O2/c1-21(2)18-16-14-12-10-8-7-9-11-13-15-17-20(24)25-23(5,6)22(3,4)19-21/h16,18H,7-15,17,19H2,1-6H3.
What are the key properties of 15,15,17,17,18,18-hexamethyl-1-oxacyclooctadec-13-en-2-one?
15,15,17,17,18,18-hexamethyl-1-oxacyclooctadec-13-en-2-one has a molecular weight of 350.59 g/mol, XLogP of 7.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15,17,17,18,18-hexamethyl-1-oxacyclooctadec-13-en-2-one is sourced from PubChem (CID 123798479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).