1,9-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene

C14H20O4 — CID 54256382

IUPAC1,9-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene
SMILESCC1=COC2OC3(C)CCC4CCCC1C42OO3
InChIInChI=1S/C14H20O4/c1-9-8-15-12-14-10(4-3-5-11(9)14)6-7-13(2,16-12)17-18-14/h8,10-12H,3-7H2,1-2H3
InChIKeyRAJHZYSRQSJXPD-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.89
Rot. Bonds

About 1,9-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene

1,9-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene (PubChem CID 54256382) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1,9-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene.

Molecular Properties

Compound Name1,9-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene
PubChem CID54256382
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1,9-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene
SMILESCC1=COC2OC3(C)CCC4CCCC1C42OO3
InChIInChI=1S/C14H20O4/c1-9-8-15-12-14-10(4-3-5-11(9)14)6-7-13(2,16-12)17-18-14/h8,10-12H,3-7H2,1-2H3
InChIKeyRAJHZYSRQSJXPD-UHFFFAOYSA-N
XLogP2.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,9-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,9-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene?
The IUPAC name of 1,9-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene (CID 54256382) is 1,9-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene.
What is the SMILES notation for 1,9-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene?
The canonical SMILES for 1,9-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene is CC1=COC2OC3(C)CCC4CCCC1C42OO3.
What is the InChIKey of 1,9-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene?
The InChIKey is RAJHZYSRQSJXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-9-8-15-12-14-10(4-3-5-11(9)14)6-7-13(2,16-12)17-18-14/h8,10-12H,3-7H2,1-2H3.
What are the key properties of 1,9-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene?
1,9-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene has a molecular weight of 252.31 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene is sourced from PubChem (CID 54256382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).