(7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]oct-4-ene

C11H16O — CID 24848739

IUPAC(7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]oct-4-ene
SMILESC=C(C)[C@@H]1CC=C(C)C2(CO2)C1
InChIInChI=1S/C11H16O/c1-8(2)10-5-4-9(3)11(6-10)7-12-11/h4,10H,1,5-7H2,2-3H3/t10-,11?/m1/s1
InChIKeyNXVYPQNECMQFAA-NFJWQWPMSA-N
MW164.25 g/mol
LogP2.69
Rot. Bonds1

About (7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]oct-4-ene

(7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]oct-4-ene (PubChem CID 24848739) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]oct-4-ene.

Molecular Properties

Compound Name(7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]oct-4-ene
PubChem CID24848739
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]oct-4-ene
SMILESC=C(C)[C@@H]1CC=C(C)C2(CO2)C1
InChIInChI=1S/C11H16O/c1-8(2)10-5-4-9(3)11(6-10)7-12-11/h4,10H,1,5-7H2,2-3H3/t10-,11?/m1/s1
InChIKeyNXVYPQNECMQFAA-NFJWQWPMSA-N
XLogP2.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]oct-4-ene?
The IUPAC name of (7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]oct-4-ene (CID 24848739) is (7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]oct-4-ene.
What is the SMILES notation for (7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]oct-4-ene?
The canonical SMILES for (7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]oct-4-ene is C=C(C)[C@@H]1CC=C(C)C2(CO2)C1.
What is the InChIKey of (7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]oct-4-ene?
The InChIKey is NXVYPQNECMQFAA-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H16O/c1-8(2)10-5-4-9(3)11(6-10)7-12-11/h4,10H,1,5-7H2,2-3H3/t10-,11?/m1/s1.
What are the key properties of (7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]oct-4-ene?
(7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]oct-4-ene has a molecular weight of 164.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]oct-4-ene is sourced from PubChem (CID 24848739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).