6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene

C14H20O — CID 73311104

IUPAC6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene
SMILESCC12CC34C=CCCC3(C)C(CC1C4)O2
InChIInChI=1S/C14H20O/c1-12-5-3-4-6-14(12)8-10-7-11(12)15-13(10,2)9-14/h4,6,10-11H,3,5,7-9H2,1-2H3
InChIKeySYSOABHUABXZPY-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.30
Rot. Bonds

About 6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene

6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene (PubChem CID 73311104) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene.

Molecular Properties

Compound Name6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene
PubChem CID73311104
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene
SMILESCC12CC34C=CCCC3(C)C(CC1C4)O2
InChIInChI=1S/C14H20O/c1-12-5-3-4-6-14(12)8-10-7-11(12)15-13(10,2)9-14/h4,6,10-11H,3,5,7-9H2,1-2H3
InChIKeySYSOABHUABXZPY-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene?
The IUPAC name of 6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene (CID 73311104) is 6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene.
What is the SMILES notation for 6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene?
The canonical SMILES for 6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene is CC12CC34C=CCCC3(C)C(CC1C4)O2.
What is the InChIKey of 6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene?
The InChIKey is SYSOABHUABXZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-12-5-3-4-6-14(12)8-10-7-11(12)15-13(10,2)9-14/h4,6,10-11H,3,5,7-9H2,1-2H3.
What are the key properties of 6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene?
6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene has a molecular weight of 204.31 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene is sourced from PubChem (CID 73311104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).