4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene

C10H16O — CID 72746984

IUPAC4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene
SMILESCC1C=CC2CC1OC2(C)C
InChIInChI=1S/C10H16O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4-5,7-9H,6H2,1-3H3
InChIKeyOVUFWOJDFGZYRB-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.38
Rot. Bonds

About 4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene

4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene (PubChem CID 72746984) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene
PubChem CID72746984
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene
SMILESCC1C=CC2CC1OC2(C)C
InChIInChI=1S/C10H16O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4-5,7-9H,6H2,1-3H3
InChIKeyOVUFWOJDFGZYRB-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene (CID 72746984) is 4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene is CC1C=CC2CC1OC2(C)C.
What is the InChIKey of 4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene?
The InChIKey is OVUFWOJDFGZYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene?
4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene has a molecular weight of 152.24 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 72746984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).