(1R,2S,6R,7R)-1,4,4,8-tetramethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene

C14H22O — CID 10726990

IUPAC(1R,2S,6R,7R)-1,4,4,8-tetramethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene
SMILESCC1=CC[C@@]2(C)O[C@@H]1[C@@H]1CC(C)(C)C[C@@H]12
InChIInChI=1S/C14H22O/c1-9-5-6-14(4)11-8-13(2,3)7-10(11)12(9)15-14/h5,10-12H,6-8H2,1-4H3/t10-,11+,12+,14-/m1/s1
InChIKeyDGTWJMBTLIXLPF-OWTLIXCDSA-N
MW206.33 g/mol
LogP3.55
Rot. Bonds

About (1R,2S,6R,7R)-1,4,4,8-tetramethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene

(1R,2S,6R,7R)-1,4,4,8-tetramethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene (PubChem CID 10726990) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (1R,2S,6R,7R)-1,4,4,8-tetramethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene.

Molecular Properties

Compound Name(1R,2S,6R,7R)-1,4,4,8-tetramethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene
PubChem CID10726990
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(1R,2S,6R,7R)-1,4,4,8-tetramethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene
SMILESCC1=CC[C@@]2(C)O[C@@H]1[C@@H]1CC(C)(C)C[C@@H]12
InChIInChI=1S/C14H22O/c1-9-5-6-14(4)11-8-13(2,3)7-10(11)12(9)15-14/h5,10-12H,6-8H2,1-4H3/t10-,11+,12+,14-/m1/s1
InChIKeyDGTWJMBTLIXLPF-OWTLIXCDSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2S,6R,7R)-1,4,4,8-tetramethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene with MolForge

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Related Compounds

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1-Oxaspiro(4.5)dec-6-ene, 2,6,10,10-tetramethyl-, (2R,5S)-rel-
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CID 6431226
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CID 21155955
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CID 23454481

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7R)-1,4,4,8-tetramethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene?
The IUPAC name of (1R,2S,6R,7R)-1,4,4,8-tetramethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene (CID 10726990) is (1R,2S,6R,7R)-1,4,4,8-tetramethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene.
What is the SMILES notation for (1R,2S,6R,7R)-1,4,4,8-tetramethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene?
The canonical SMILES for (1R,2S,6R,7R)-1,4,4,8-tetramethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene is CC1=CC[C@@]2(C)O[C@@H]1[C@@H]1CC(C)(C)C[C@@H]12.
What is the InChIKey of (1R,2S,6R,7R)-1,4,4,8-tetramethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene?
The InChIKey is DGTWJMBTLIXLPF-OWTLIXCDSA-N. The full InChI is InChI=1S/C14H22O/c1-9-5-6-14(4)11-8-13(2,3)7-10(11)12(9)15-14/h5,10-12H,6-8H2,1-4H3/t10-,11+,12+,14-/m1/s1.
What are the key properties of (1R,2S,6R,7R)-1,4,4,8-tetramethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene?
(1R,2S,6R,7R)-1,4,4,8-tetramethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene has a molecular weight of 206.33 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7R)-1,4,4,8-tetramethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene is sourced from PubChem (CID 10726990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).