(7S)-4,10,12,12-tetramethyl-11-oxatricyclo[5.3.2.01,6]dodeca-4,9-diene

C15H22O — CID 91747404

IUPAC(7S)-4,10,12,12-tetramethyl-11-oxatricyclo[5.3.2.01,6]dodeca-4,9-diene
SMILESCC1=CC2[C@@H]3CC=C(C)C2(CC1)OC3(C)C
InChIInChI=1S/C15H22O/c1-10-7-8-15-11(2)5-6-12(13(15)9-10)14(3,4)16-15/h5,9,12-13H,6-8H2,1-4H3/t12-,13?,15?/m0/s1
InChIKeyJQNDHAYUYJSOKV-OPFPJEHXSA-N
MW218.34 g/mol
LogP3.86
Rot. Bonds

About (7S)-4,10,12,12-tetramethyl-11-oxatricyclo[5.3.2.01,6]dodeca-4,9-diene

(7S)-4,10,12,12-tetramethyl-11-oxatricyclo[5.3.2.01,6]dodeca-4,9-diene (PubChem CID 91747404) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (7S)-4,10,12,12-tetramethyl-11-oxatricyclo[5.3.2.01,6]dodeca-4,9-diene.

Molecular Properties

Compound Name(7S)-4,10,12,12-tetramethyl-11-oxatricyclo[5.3.2.01,6]dodeca-4,9-diene
PubChem CID91747404
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(7S)-4,10,12,12-tetramethyl-11-oxatricyclo[5.3.2.01,6]dodeca-4,9-diene
SMILESCC1=CC2[C@@H]3CC=C(C)C2(CC1)OC3(C)C
InChIInChI=1S/C15H22O/c1-10-7-8-15-11(2)5-6-12(13(15)9-10)14(3,4)16-15/h5,9,12-13H,6-8H2,1-4H3/t12-,13?,15?/m0/s1
InChIKeyJQNDHAYUYJSOKV-OPFPJEHXSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.86
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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(1S,5S,9S)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene
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Frequently Asked Questions

What is the IUPAC name of (7S)-4,10,12,12-tetramethyl-11-oxatricyclo[5.3.2.01,6]dodeca-4,9-diene?
The IUPAC name of (7S)-4,10,12,12-tetramethyl-11-oxatricyclo[5.3.2.01,6]dodeca-4,9-diene (CID 91747404) is (7S)-4,10,12,12-tetramethyl-11-oxatricyclo[5.3.2.01,6]dodeca-4,9-diene.
What is the SMILES notation for (7S)-4,10,12,12-tetramethyl-11-oxatricyclo[5.3.2.01,6]dodeca-4,9-diene?
The canonical SMILES for (7S)-4,10,12,12-tetramethyl-11-oxatricyclo[5.3.2.01,6]dodeca-4,9-diene is CC1=CC2[C@@H]3CC=C(C)C2(CC1)OC3(C)C.
What is the InChIKey of (7S)-4,10,12,12-tetramethyl-11-oxatricyclo[5.3.2.01,6]dodeca-4,9-diene?
The InChIKey is JQNDHAYUYJSOKV-OPFPJEHXSA-N. The full InChI is InChI=1S/C15H22O/c1-10-7-8-15-11(2)5-6-12(13(15)9-10)14(3,4)16-15/h5,9,12-13H,6-8H2,1-4H3/t12-,13?,15?/m0/s1.
What are the key properties of (7S)-4,10,12,12-tetramethyl-11-oxatricyclo[5.3.2.01,6]dodeca-4,9-diene?
(7S)-4,10,12,12-tetramethyl-11-oxatricyclo[5.3.2.01,6]dodeca-4,9-diene has a molecular weight of 218.34 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4,10,12,12-tetramethyl-11-oxatricyclo[5.3.2.01,6]dodeca-4,9-diene is sourced from PubChem (CID 91747404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).