(3S)-1-oxaspiro[2.5]oct-4-ene

C7H10O — CID 102418983

IUPAC(3S)-1-oxaspiro[2.5]oct-4-ene
SMILESC1=C[C@@]2(CCC1)CO2
InChIInChI=1S/C7H10O/c1-2-4-7(5-3-1)6-8-7/h2,4H,1,3,5-6H2/t7-/m1/s1
InChIKeyUZXHUZGASWCKEP-SSDOTTSWSA-N
MW110.16 g/mol
LogP1.50
Rot. Bonds

About (3S)-1-oxaspiro[2.5]oct-4-ene

(3S)-1-oxaspiro[2.5]oct-4-ene (PubChem CID 102418983) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (3S)-1-oxaspiro[2.5]oct-4-ene.

Molecular Properties

Compound Name(3S)-1-oxaspiro[2.5]oct-4-ene
PubChem CID102418983
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(3S)-1-oxaspiro[2.5]oct-4-ene
SMILESC1=C[C@@]2(CCC1)CO2
InChIInChI=1S/C7H10O/c1-2-4-7(5-3-1)6-8-7/h2,4H,1,3,5-6H2/t7-/m1/s1
InChIKeyUZXHUZGASWCKEP-SSDOTTSWSA-N
XLogP1.50
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.50
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

5-oxaspiro[3.5]non-8-ene
CID 66602357
1-oxaspiro[5.5]undeca-2,10-dien-4-one
CID 102029700
1-(1-trimethylsilylcyclohex-2-en-1-yl)ethanol
CID 85385466
3-methyl-3-methylcyclohexene
CID 163592791
4,4-dimethylspiro[4.5]dec-9-ene
CID 102083414
(3R)-3-methoxy-3-methylcyclohexene
CID 163620954
1-azaspiro[5.5]undeca-4,10-diene
CID 11423682
6-propan-2-yl-1-oxaspiro[2.5]oct-4-ene
CID 14758575
1-oxa-9-azaspiro[4.5]dec-3-ene
CID 54402162
1-azaspiro[5.5]undec-10-ene
CID 10558796
1-iodocyclohex-2-ene-1-carbaldehyde
CID 174697364
spiro[4.7]dodec-9-ene
CID 173457967

Frequently Asked Questions

What is the IUPAC name of (3S)-1-oxaspiro[2.5]oct-4-ene?
The IUPAC name of (3S)-1-oxaspiro[2.5]oct-4-ene (CID 102418983) is (3S)-1-oxaspiro[2.5]oct-4-ene.
What is the SMILES notation for (3S)-1-oxaspiro[2.5]oct-4-ene?
The canonical SMILES for (3S)-1-oxaspiro[2.5]oct-4-ene is C1=C[C@@]2(CCC1)CO2.
What is the InChIKey of (3S)-1-oxaspiro[2.5]oct-4-ene?
The InChIKey is UZXHUZGASWCKEP-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10O/c1-2-4-7(5-3-1)6-8-7/h2,4H,1,3,5-6H2/t7-/m1/s1.
What are the key properties of (3S)-1-oxaspiro[2.5]oct-4-ene?
(3S)-1-oxaspiro[2.5]oct-4-ene has a molecular weight of 110.16 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-oxaspiro[2.5]oct-4-ene is sourced from PubChem (CID 102418983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).