1,3,9,10,10-pentamethyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene

C14H22O — CID 18737064

IUPAC1,3,9,10,10-pentamethyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC1=CC2C3COC(C)C3C1(C)C2(C)C
InChIInChI=1S/C14H22O/c1-8-6-11-10-7-15-9(2)12(10)14(8,5)13(11,3)4/h6,9-12H,7H2,1-5H3
InChIKeyFTYGTZFKDXWLKG-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.26
Rot. Bonds

About 1,3,9,10,10-pentamethyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene

1,3,9,10,10-pentamethyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 18737064) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1,3,9,10,10-pentamethyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name1,3,9,10,10-pentamethyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID18737064
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1,3,9,10,10-pentamethyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC1=CC2C3COC(C)C3C1(C)C2(C)C
InChIInChI=1S/C14H22O/c1-8-6-11-10-7-15-9(2)12(10)14(8,5)13(11,3)4/h6,9-12H,7H2,1-5H3
InChIKeyFTYGTZFKDXWLKG-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.26
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 1,3,9,10,10-pentamethyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 1,3,9,10,10-pentamethyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene (CID 18737064) is 1,3,9,10,10-pentamethyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 1,3,9,10,10-pentamethyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 1,3,9,10,10-pentamethyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene is CC1=CC2C3COC(C)C3C1(C)C2(C)C.
What is the InChIKey of 1,3,9,10,10-pentamethyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is FTYGTZFKDXWLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-8-6-11-10-7-15-9(2)12(10)14(8,5)13(11,3)4/h6,9-12H,7H2,1-5H3.
What are the key properties of 1,3,9,10,10-pentamethyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene?
1,3,9,10,10-pentamethyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 206.33 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,9,10,10-pentamethyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 18737064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).