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

C11H18O — CID 45266814

IUPAC(4R,7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]octane
SMILESC=C(C)[C@@H]1CC[C@@H](C)C2(CO2)C1
InChIInChI=1S/C11H18O/c1-8(2)10-5-4-9(3)11(6-10)7-12-11/h9-10H,1,4-7H2,2-3H3/t9-,10-,11?/m1/s1
InChIKeyFCBPYFAIZAUFEI-DIOIDXFWSA-N
MW166.26 g/mol
LogP2.77
Rot. Bonds1

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

(4R,7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]octane (PubChem CID 45266814) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4R,7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name(4R,7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]octane
PubChem CID45266814
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4R,7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]octane
SMILESC=C(C)[C@@H]1CC[C@@H](C)C2(CO2)C1
InChIInChI=1S/C11H18O/c1-8(2)10-5-4-9(3)11(6-10)7-12-11/h9-10H,1,4-7H2,2-3H3/t9-,10-,11?/m1/s1
InChIKeyFCBPYFAIZAUFEI-DIOIDXFWSA-N
XLogP2.77
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]octane?
The IUPAC name of (4R,7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]octane (CID 45266814) is (4R,7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]octane.
What is the SMILES notation for (4R,7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]octane?
The canonical SMILES for (4R,7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]octane is C=C(C)[C@@H]1CC[C@@H](C)C2(CO2)C1.
What is the InChIKey of (4R,7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]octane?
The InChIKey is FCBPYFAIZAUFEI-DIOIDXFWSA-N. The full InChI is InChI=1S/C11H18O/c1-8(2)10-5-4-9(3)11(6-10)7-12-11/h9-10H,1,4-7H2,2-3H3/t9-,10-,11?/m1/s1.
What are the key properties of (4R,7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]octane?
(4R,7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]octane has a molecular weight of 166.26 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R)-4-methyl-7-prop-1-en-2-yl-1-oxaspiro[2.5]octane is sourced from PubChem (CID 45266814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).