(3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane

C11H18O — CID 15011476

IUPAC(3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane
SMILESC=C(C)C[C@@H]1CCCC[C@@]12CO2
InChIInChI=1S/C11H18O/c1-9(2)7-10-5-3-4-6-11(10)8-12-11/h10H,1,3-8H2,2H3/t10-,11+/m0/s1
InChIKeyCAXMLOLOBKFJDA-WDEREUQCSA-N
MW166.26 g/mol
LogP2.91
Rot. Bonds2

About (3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane

(3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane (PubChem CID 15011476) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name(3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane
PubChem CID15011476
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane
SMILESC=C(C)C[C@@H]1CCCC[C@@]12CO2
InChIInChI=1S/C11H18O/c1-9(2)7-10-5-3-4-6-11(10)8-12-11/h10H,1,3-8H2,2H3/t10-,11+/m0/s1
InChIKeyCAXMLOLOBKFJDA-WDEREUQCSA-N
XLogP2.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.91
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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Related Compounds

1-Oxaspiro(2.5)octane, 4,4-dimethyl-8-methylene-
CID 586296
4-Methylene-1-(1-methylethyl)-7-oxabicyclo[4.1.0]heptane
CID 101409164
4-Isopropenyl-4,7-dimethyl-1-oxaspiro[2.5]octane
CID 543441
4-But-3-enyl-1-oxaspiro[2.5]octane
CID 11480652
(3R,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane
CID 15011477
(3R,4S)-4-prop-2-enyl-1-oxaspiro[2.5]octane
CID 15937102
1-Methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane
CID 101411637
(4S)-4-but-3-enyl-1-oxaspiro[2.5]octane
CID 139248669
(4R,7R)-7-isopropenyl-4-methyl-1-oxaspiro[2.5]octane
CID 45266814
(3R,4S)-4-(cyclohexen-1-yl)-1-oxaspiro[2.5]octane
CID 23522985
2-[2-(2,2-Dimethyl-6-methylidenecyclohexyl)ethyl]-2-methyloxirane
CID 88439748
1-Methoxy-1,2-dimethyl-4-prop-1-en-2-ylcyclohexane
CID 89817726

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane?
The IUPAC name of (3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane (CID 15011476) is (3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane.
What is the SMILES notation for (3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane?
The canonical SMILES for (3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane is C=C(C)C[C@@H]1CCCC[C@@]12CO2.
What is the InChIKey of (3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane?
The InChIKey is CAXMLOLOBKFJDA-WDEREUQCSA-N. The full InChI is InChI=1S/C11H18O/c1-9(2)7-10-5-3-4-6-11(10)8-12-11/h10H,1,3-8H2,2H3/t10-,11+/m0/s1.
What are the key properties of (3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane?
(3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane has a molecular weight of 166.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane is sourced from PubChem (CID 15011476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).