(1R,6S)-7,7,9,9-tetramethyl-8,11-dioxa-10-selenatetracyclo[4.3.1.12,5.01,6]undec-3-ene

C12H16O2Se — CID 139266088

IUPAC(1R,6S)-7,7,9,9-tetramethyl-8,11-dioxa-10-selenatetracyclo[4.3.1.12,5.01,6]undec-3-ene
SMILESCC1(C)OC(C)(C)[C@]23[Se][C@]12C1C=CC3O1
InChIInChI=1S/C12H16O2Se/c1-9(2)11-7-5-6-8(13-7)12(11,15-11)10(3,4)14-9/h5-8H,1-4H3/t7?,8?,11-,12+
InChIKeyBXGWVAXZKQHYIW-MRUWNMPWSA-N
MW271.22 g/mol
LogP1.95
Rot. Bonds

About (1R,6S)-7,7,9,9-tetramethyl-8,11-dioxa-10-selenatetracyclo[4.3.1.12,5.01,6]undec-3-ene

(1R,6S)-7,7,9,9-tetramethyl-8,11-dioxa-10-selenatetracyclo[4.3.1.12,5.01,6]undec-3-ene (PubChem CID 139266088) has the molecular formula C12H16O2Se and a molecular weight of 271.22 g/mol. Its IUPAC name is (1R,6S)-7,7,9,9-tetramethyl-8,11-dioxa-10-selenatetracyclo[4.3.1.12,5.01,6]undec-3-ene.

Molecular Properties

Compound Name(1R,6S)-7,7,9,9-tetramethyl-8,11-dioxa-10-selenatetracyclo[4.3.1.12,5.01,6]undec-3-ene
PubChem CID139266088
Molecular FormulaC12H16O2Se
Molecular Weight271.22 g/mol
Exact Mass272.03
IUPAC Name(1R,6S)-7,7,9,9-tetramethyl-8,11-dioxa-10-selenatetracyclo[4.3.1.12,5.01,6]undec-3-ene
SMILESCC1(C)OC(C)(C)[C@]23[Se][C@]12C1C=CC3O1
InChIInChI=1S/C12H16O2Se/c1-9(2)11-7-5-6-8(13-7)12(11,15-11)10(3,4)14-9/h5-8H,1-4H3/t7?,8?,11-,12+
InChIKeyBXGWVAXZKQHYIW-MRUWNMPWSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,6S)-7,7,9,9-tetramethyl-8,11-dioxa-10-selenatetracyclo[4.3.1.12,5.01,6]undec-3-ene with MolForge

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Related Compounds

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CID 159846951
dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate
CID 98156668
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CID 89081790
CID 98514204
CID 98514204
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CID 12699189
(1R)-1,2-dimethylcyclobutan-1-amine
CID 147198625
1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene
CID 154982040
5-methyl-6-oxabicyclo[3.1.0]hex-2-ene
CID 154095196
(1S,4R,5R)-4-chloro-2,2-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
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(1R,2R,4R)-2-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol
CID 55288942

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-7,7,9,9-tetramethyl-8,11-dioxa-10-selenatetracyclo[4.3.1.12,5.01,6]undec-3-ene?
The IUPAC name of (1R,6S)-7,7,9,9-tetramethyl-8,11-dioxa-10-selenatetracyclo[4.3.1.12,5.01,6]undec-3-ene (CID 139266088) is (1R,6S)-7,7,9,9-tetramethyl-8,11-dioxa-10-selenatetracyclo[4.3.1.12,5.01,6]undec-3-ene.
What is the SMILES notation for (1R,6S)-7,7,9,9-tetramethyl-8,11-dioxa-10-selenatetracyclo[4.3.1.12,5.01,6]undec-3-ene?
The canonical SMILES for (1R,6S)-7,7,9,9-tetramethyl-8,11-dioxa-10-selenatetracyclo[4.3.1.12,5.01,6]undec-3-ene is CC1(C)OC(C)(C)[C@]23[Se][C@]12C1C=CC3O1.
What is the InChIKey of (1R,6S)-7,7,9,9-tetramethyl-8,11-dioxa-10-selenatetracyclo[4.3.1.12,5.01,6]undec-3-ene?
The InChIKey is BXGWVAXZKQHYIW-MRUWNMPWSA-N. The full InChI is InChI=1S/C12H16O2Se/c1-9(2)11-7-5-6-8(13-7)12(11,15-11)10(3,4)14-9/h5-8H,1-4H3/t7?,8?,11-,12+.
What are the key properties of (1R,6S)-7,7,9,9-tetramethyl-8,11-dioxa-10-selenatetracyclo[4.3.1.12,5.01,6]undec-3-ene?
(1R,6S)-7,7,9,9-tetramethyl-8,11-dioxa-10-selenatetracyclo[4.3.1.12,5.01,6]undec-3-ene has a molecular weight of 271.22 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-7,7,9,9-tetramethyl-8,11-dioxa-10-selenatetracyclo[4.3.1.12,5.01,6]undec-3-ene is sourced from PubChem (CID 139266088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).