4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-9,13-dione

C14H18O4 — CID 163094579

IUPAC4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-9,13-dione
SMILESCC1=CCCC2(C)OC2C2OC(=O)CC2CC1=O
InChIInChI=1S/C14H18O4/c1-8-4-3-5-14(2)13(18-14)12-9(6-10(8)15)7-11(16)17-12/h4,9,12-13H,3,5-7H2,1-2H3
InChIKeyZUVUFMKEYMFMJG-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.77
Rot. Bonds

About 4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-9,13-dione

4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-9,13-dione (PubChem CID 163094579) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-9,13-dione.

Molecular Properties

Compound Name4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-9,13-dione
PubChem CID163094579
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-9,13-dione
SMILESCC1=CCCC2(C)OC2C2OC(=O)CC2CC1=O
InChIInChI=1S/C14H18O4/c1-8-4-3-5-14(2)13(18-14)12-9(6-10(8)15)7-11(16)17-12/h4,9,12-13H,3,5-7H2,1-2H3
InChIKeyZUVUFMKEYMFMJG-UHFFFAOYSA-N
XLogP1.77
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-9,13-dione?
The IUPAC name of 4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-9,13-dione (CID 163094579) is 4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-9,13-dione.
What is the SMILES notation for 4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-9,13-dione?
The canonical SMILES for 4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-9,13-dione is CC1=CCCC2(C)OC2C2OC(=O)CC2CC1=O.
What is the InChIKey of 4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-9,13-dione?
The InChIKey is ZUVUFMKEYMFMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-8-4-3-5-14(2)13(18-14)12-9(6-10(8)15)7-11(16)17-12/h4,9,12-13H,3,5-7H2,1-2H3.
What are the key properties of 4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-9,13-dione?
4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-9,13-dione has a molecular weight of 250.29 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-9,13-dione is sourced from PubChem (CID 163094579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).