(1R,2S,6R,7R)-1,4,4,8,9-pentamethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene

C15H24O — CID 10822839

IUPAC(1R,2S,6R,7R)-1,4,4,8,9-pentamethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene
SMILESCC1=C(C)[C@@H]2O[C@](C)(C1)[C@H]1CC(C)(C)C[C@@H]21
InChIInChI=1S/C15H24O/c1-9-6-15(5)12-8-14(3,4)7-11(12)13(16-15)10(9)2/h11-13H,6-8H2,1-5H3/t11-,12+,13+,15-/m1/s1
InChIKeyVPJJUXKTIBMUIF-UKTARXLSSA-N
MW220.36 g/mol
LogP3.94
Rot. Bonds

About (1R,2S,6R,7R)-1,4,4,8,9-pentamethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene

(1R,2S,6R,7R)-1,4,4,8,9-pentamethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene (PubChem CID 10822839) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,2S,6R,7R)-1,4,4,8,9-pentamethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene.

Molecular Properties

Compound Name(1R,2S,6R,7R)-1,4,4,8,9-pentamethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene
PubChem CID10822839
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,2S,6R,7R)-1,4,4,8,9-pentamethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene
SMILESCC1=C(C)[C@@H]2O[C@](C)(C1)[C@H]1CC(C)(C)C[C@@H]21
InChIInChI=1S/C15H24O/c1-9-6-15(5)12-8-14(3,4)7-11(12)13(16-15)10(9)2/h11-13H,6-8H2,1-5H3/t11-,12+,13+,15-/m1/s1
InChIKeyVPJJUXKTIBMUIF-UKTARXLSSA-N
XLogP3.94
TPSA9.23 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 ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Mintoxide
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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7R)-1,4,4,8,9-pentamethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene?
The IUPAC name of (1R,2S,6R,7R)-1,4,4,8,9-pentamethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene (CID 10822839) is (1R,2S,6R,7R)-1,4,4,8,9-pentamethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene.
What is the SMILES notation for (1R,2S,6R,7R)-1,4,4,8,9-pentamethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene?
The canonical SMILES for (1R,2S,6R,7R)-1,4,4,8,9-pentamethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene is CC1=C(C)[C@@H]2O[C@](C)(C1)[C@H]1CC(C)(C)C[C@@H]21.
What is the InChIKey of (1R,2S,6R,7R)-1,4,4,8,9-pentamethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene?
The InChIKey is VPJJUXKTIBMUIF-UKTARXLSSA-N. The full InChI is InChI=1S/C15H24O/c1-9-6-15(5)12-8-14(3,4)7-11(12)13(16-15)10(9)2/h11-13H,6-8H2,1-5H3/t11-,12+,13+,15-/m1/s1.
What are the key properties of (1R,2S,6R,7R)-1,4,4,8,9-pentamethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene?
(1R,2S,6R,7R)-1,4,4,8,9-pentamethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene has a molecular weight of 220.36 g/mol, XLogP of 3.94, 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)-1,4,4,8,9-pentamethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene is sourced from PubChem (CID 10822839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).