1,9-dimethyl-10-prop-2-enyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

C17H26O4 — CID 123898535

IUPAC1,9-dimethyl-10-prop-2-enyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
SMILESC=CCC1OC2OC3(C)CCC4CCCC(C1C)C42OO3
InChIInChI=1S/C17H26O4/c1-4-6-14-11(2)13-8-5-7-12-9-10-16(3)19-15(18-14)17(12,13)21-20-16/h4,11-15H,1,5-10H2,2-3H3
InChIKeyFNWSTDBCEWEHAB-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.57
Rot. Bonds2

About 1,9-dimethyl-10-prop-2-enyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

1,9-dimethyl-10-prop-2-enyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane (PubChem CID 123898535) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1,9-dimethyl-10-prop-2-enyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane.

Molecular Properties

Compound Name1,9-dimethyl-10-prop-2-enyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
PubChem CID123898535
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name1,9-dimethyl-10-prop-2-enyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
SMILESC=CCC1OC2OC3(C)CCC4CCCC(C1C)C42OO3
InChIInChI=1S/C17H26O4/c1-4-6-14-11(2)13-8-5-7-12-9-10-16(3)19-15(18-14)17(12,13)21-20-16/h4,11-15H,1,5-10H2,2-3H3
InChIKeyFNWSTDBCEWEHAB-UHFFFAOYSA-N
XLogP3.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,9-dimethyl-10-prop-2-enyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane 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-10-prop-2-enyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane?
The IUPAC name of 1,9-dimethyl-10-prop-2-enyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane (CID 123898535) is 1,9-dimethyl-10-prop-2-enyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane.
What is the SMILES notation for 1,9-dimethyl-10-prop-2-enyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane?
The canonical SMILES for 1,9-dimethyl-10-prop-2-enyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane is C=CCC1OC2OC3(C)CCC4CCCC(C1C)C42OO3.
What is the InChIKey of 1,9-dimethyl-10-prop-2-enyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane?
The InChIKey is FNWSTDBCEWEHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-4-6-14-11(2)13-8-5-7-12-9-10-16(3)19-15(18-14)17(12,13)21-20-16/h4,11-15H,1,5-10H2,2-3H3.
What are the key properties of 1,9-dimethyl-10-prop-2-enyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane?
1,9-dimethyl-10-prop-2-enyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane has a molecular weight of 294.39 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethyl-10-prop-2-enyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane is sourced from PubChem (CID 123898535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).