7-tert-butyl-8-oxabicyclo[3.2.1]oct-2-ene

C11H18O — CID 59620271

IUPAC7-tert-butyl-8-oxabicyclo[3.2.1]oct-2-ene
SMILESCC(C)(C)C1CC2CC=CC1O2
InChIInChI=1S/C11H18O/c1-11(2,3)9-7-8-5-4-6-10(9)12-8/h4,6,8-10H,5,7H2,1-3H3
InChIKeyQJCWNYXFMOTBGJ-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.77
Rot. Bonds

About 7-tert-butyl-8-oxabicyclo[3.2.1]oct-2-ene

7-tert-butyl-8-oxabicyclo[3.2.1]oct-2-ene (PubChem CID 59620271) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 7-tert-butyl-8-oxabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name7-tert-butyl-8-oxabicyclo[3.2.1]oct-2-ene
PubChem CID59620271
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name7-tert-butyl-8-oxabicyclo[3.2.1]oct-2-ene
SMILESCC(C)(C)C1CC2CC=CC1O2
InChIInChI=1S/C11H18O/c1-11(2,3)9-7-8-5-4-6-10(9)12-8/h4,6,8-10H,5,7H2,1-3H3
InChIKeyQJCWNYXFMOTBGJ-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.77
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

Theaspirane
CID 61953
2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran
CID 586292
6-Oxabicyclo(3.2.1)oct-3-ene, 4,7,7-trimethyl-
CID 101153
1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
CID 20268659
2H-Pyran, 3,6-dihydro-4-methyl-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990786
Bisabolene oxide
CID 56842615
Anethofuran
CID 126537
2H-Pyran, 5,6-dihydro-4-methyl-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990785
1-Oxaspiro(4.5)deca-3,6-diene, 2,6,10,10-tetramethyl-
CID 171338
alpha-Phellandrene epoxide
CID 527087
4,7,7-Trimethyl-6-oxabicyclo[3.2.1]oct-2-ene
CID 72746984
1-Oxaspiro[4.5]dec-6-ene, 2,6,10,10-tetramethyl-, (2R,5R)-rel-
CID 11298500

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-8-oxabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 7-tert-butyl-8-oxabicyclo[3.2.1]oct-2-ene (CID 59620271) is 7-tert-butyl-8-oxabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 7-tert-butyl-8-oxabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 7-tert-butyl-8-oxabicyclo[3.2.1]oct-2-ene is CC(C)(C)C1CC2CC=CC1O2.
What is the InChIKey of 7-tert-butyl-8-oxabicyclo[3.2.1]oct-2-ene?
The InChIKey is QJCWNYXFMOTBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-11(2,3)9-7-8-5-4-6-10(9)12-8/h4,6,8-10H,5,7H2,1-3H3.
What are the key properties of 7-tert-butyl-8-oxabicyclo[3.2.1]oct-2-ene?
7-tert-butyl-8-oxabicyclo[3.2.1]oct-2-ene has a molecular weight of 166.26 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-8-oxabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 59620271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).