(1E,8E)-2,9-dimethyl-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene

C14H20O2 — CID 139250132

IUPAC(1E,8E)-2,9-dimethyl-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene
SMILESC/C1=C2\COCC2C/C(C)=C2/COCC2C1
InChIInChI=1S/C14H20O2/c1-9-3-11-5-16-8-14(11)10(2)4-12-6-15-7-13(9)12/h11-12H,3-8H2,1-2H3/b13-9-,14-10-
InChIKeyWRUFPFLYLRBZSI-FOIMCPNXSA-N
MW220.31 g/mol
LogP2.71
Rot. Bonds

About (1E,8E)-2,9-dimethyl-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene

(1E,8E)-2,9-dimethyl-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene (PubChem CID 139250132) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (1E,8E)-2,9-dimethyl-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene.

Molecular Properties

Compound Name(1E,8E)-2,9-dimethyl-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene
PubChem CID139250132
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(1E,8E)-2,9-dimethyl-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene
SMILESC/C1=C2\COCC2C/C(C)=C2/COCC2C1
InChIInChI=1S/C14H20O2/c1-9-3-11-5-16-8-14(11)10(2)4-12-6-15-7-13(9)12/h11-12H,3-8H2,1-2H3/b13-9-,14-10-
InChIKeyWRUFPFLYLRBZSI-FOIMCPNXSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.71
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 (1E,8E)-2,9-dimethyl-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene?
The IUPAC name of (1E,8E)-2,9-dimethyl-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene (CID 139250132) is (1E,8E)-2,9-dimethyl-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene.
What is the SMILES notation for (1E,8E)-2,9-dimethyl-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene?
The canonical SMILES for (1E,8E)-2,9-dimethyl-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene is C/C1=C2\COCC2C/C(C)=C2/COCC2C1.
What is the InChIKey of (1E,8E)-2,9-dimethyl-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene?
The InChIKey is WRUFPFLYLRBZSI-FOIMCPNXSA-N. The full InChI is InChI=1S/C14H20O2/c1-9-3-11-5-16-8-14(11)10(2)4-12-6-15-7-13(9)12/h11-12H,3-8H2,1-2H3/b13-9-,14-10-.
What are the key properties of (1E,8E)-2,9-dimethyl-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene?
(1E,8E)-2,9-dimethyl-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene has a molecular weight of 220.31 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,8E)-2,9-dimethyl-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene is sourced from PubChem (CID 139250132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).