(3R,4R)-4-prop-2-enyl-1-oxaspiro[2.5]octane

C10H16O — CID 101495860

IUPAC(3R,4R)-4-prop-2-enyl-1-oxaspiro[2.5]octane
SMILESC=CC[C@H]1CCCC[C@]12CO2
InChIInChI=1S/C10H16O/c1-2-5-9-6-3-4-7-10(9)8-11-10/h2,9H,1,3-8H2/t9-,10-/m0/s1
InChIKeyHVFOIZNRCBYOPI-UWVGGRQHSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds2

About (3R,4R)-4-prop-2-enyl-1-oxaspiro[2.5]octane

(3R,4R)-4-prop-2-enyl-1-oxaspiro[2.5]octane (PubChem CID 101495860) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3R,4R)-4-prop-2-enyl-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name(3R,4R)-4-prop-2-enyl-1-oxaspiro[2.5]octane
PubChem CID101495860
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3R,4R)-4-prop-2-enyl-1-oxaspiro[2.5]octane
SMILESC=CC[C@H]1CCCC[C@]12CO2
InChIInChI=1S/C10H16O/c1-2-5-9-6-3-4-7-10(9)8-11-10/h2,9H,1,3-8H2/t9-,10-/m0/s1
InChIKeyHVFOIZNRCBYOPI-UWVGGRQHSA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.52
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

4-But-3-enyl-1-oxaspiro[2.5]octane
CID 11480652
(3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane
CID 15011476
(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
(3R,4S)-5,5-dimethyl-4-prop-2-enyl-1-oxaspiro[2.5]octane
CID 102038580
(4aS,8aS)-8a-prop-2-enyl-4,4a,5,6,7,8-hexahydrochromene
CID 102326052
cis-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane
CID 134875272
(4S)-4-but-3-enyl-1-oxaspiro[2.6]nonane
CID 139248668
(4S)-4-but-3-enyl-1-oxaspiro[2.5]octane
CID 139248669
1-Pent-4-enyl-7-oxabicyclo[4.1.0]heptane
CID 22401788
(3R,4S)-4-(cyclohexen-1-yl)-1-oxaspiro[2.5]octane
CID 23522985
2-[(4-Ethenylcyclohexyl)methyl]oxirane
CID 54336512

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-prop-2-enyl-1-oxaspiro[2.5]octane?
The IUPAC name of (3R,4R)-4-prop-2-enyl-1-oxaspiro[2.5]octane (CID 101495860) is (3R,4R)-4-prop-2-enyl-1-oxaspiro[2.5]octane.
What is the SMILES notation for (3R,4R)-4-prop-2-enyl-1-oxaspiro[2.5]octane?
The canonical SMILES for (3R,4R)-4-prop-2-enyl-1-oxaspiro[2.5]octane is C=CC[C@H]1CCCC[C@]12CO2.
What is the InChIKey of (3R,4R)-4-prop-2-enyl-1-oxaspiro[2.5]octane?
The InChIKey is HVFOIZNRCBYOPI-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16O/c1-2-5-9-6-3-4-7-10(9)8-11-10/h2,9H,1,3-8H2/t9-,10-/m0/s1.
What are the key properties of (3R,4R)-4-prop-2-enyl-1-oxaspiro[2.5]octane?
(3R,4R)-4-prop-2-enyl-1-oxaspiro[2.5]octane has a molecular weight of 152.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-prop-2-enyl-1-oxaspiro[2.5]octane is sourced from PubChem (CID 101495860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).