4-methyl-1-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane]

C15H24O — CID 91809131

IUPAC4-methyl-1-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane]
SMILESCC(C)C12C=CC(C)(CC1)C1(CCOC1)C2
InChIInChI=1S/C15H24O/c1-12(2)14-6-4-13(3,5-7-14)15(10-14)8-9-16-11-15/h4,6,12H,5,7-11H2,1-3H3
InChIKeySVUNYCAVSBQRAF-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.80
Rot. Bonds1

About 4-methyl-1-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane]

4-methyl-1-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane] (PubChem CID 91809131) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane].

Molecular Properties

Compound Name4-methyl-1-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane]
PubChem CID91809131
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-methyl-1-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane]
SMILESCC(C)C12C=CC(C)(CC1)C1(CCOC1)C2
InChIInChI=1S/C15H24O/c1-12(2)14-6-4-13(3,5-7-14)15(10-14)8-9-16-11-15/h4,6,12H,5,7-11H2,1-3H3
InChIKeySVUNYCAVSBQRAF-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.80
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-methyl-1-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane]?
The IUPAC name of 4-methyl-1-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane] (CID 91809131) is 4-methyl-1-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane].
What is the SMILES notation for 4-methyl-1-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane]?
The canonical SMILES for 4-methyl-1-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane] is CC(C)C12C=CC(C)(CC1)C1(CCOC1)C2.
What is the InChIKey of 4-methyl-1-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane]?
The InChIKey is SVUNYCAVSBQRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-12(2)14-6-4-13(3,5-7-14)15(10-14)8-9-16-11-15/h4,6,12H,5,7-11H2,1-3H3.
What are the key properties of 4-methyl-1-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane]?
4-methyl-1-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane] has a molecular weight of 220.36 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane] is sourced from PubChem (CID 91809131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).