(1S,3R)-3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene

C15H24O — CID 101065846

IUPAC(1S,3R)-3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene
SMILESCC1=CC2C(C)(C)CCC[C@@]3(C)O[C@@]23CC1
InChIInChI=1S/C15H24O/c1-11-6-9-15-12(10-11)13(2,3)7-5-8-14(15,4)16-15/h10,12H,5-9H2,1-4H3/t12?,14-,15+/m1/s1
InChIKeyFDCRKPAGAMPEAD-UCWKZMIHSA-N
MW220.36 g/mol
LogP4.08
Rot. Bonds

About (1S,3R)-3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene

(1S,3R)-3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene (PubChem CID 101065846) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1S,3R)-3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene.

Molecular Properties

Compound Name(1S,3R)-3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene
PubChem CID101065846
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1S,3R)-3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene
SMILESCC1=CC2C(C)(C)CCC[C@@]3(C)O[C@@]23CC1
InChIInChI=1S/C15H24O/c1-11-6-9-15-12(10-11)13(2,3)7-5-8-14(15,4)16-15/h10,12H,5-9H2,1-4H3/t12?,14-,15+/m1/s1
InChIKeyFDCRKPAGAMPEAD-UCWKZMIHSA-N
XLogP4.08
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,3R)-3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene?
The IUPAC name of (1S,3R)-3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene (CID 101065846) is (1S,3R)-3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene.
What is the SMILES notation for (1S,3R)-3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene?
The canonical SMILES for (1S,3R)-3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene is CC1=CC2C(C)(C)CCC[C@@]3(C)O[C@@]23CC1.
What is the InChIKey of (1S,3R)-3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene?
The InChIKey is FDCRKPAGAMPEAD-UCWKZMIHSA-N. The full InChI is InChI=1S/C15H24O/c1-11-6-9-15-12(10-11)13(2,3)7-5-8-14(15,4)16-15/h10,12H,5-9H2,1-4H3/t12?,14-,15+/m1/s1.
What are the key properties of (1S,3R)-3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene?
(1S,3R)-3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene has a molecular weight of 220.36 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene is sourced from PubChem (CID 101065846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).