(4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane

C10H14O — CID 11240580

IUPAC(4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane
SMILESC=C[C@@H]1CC[C@@H](C=C)C12CO2
InChIInChI=1S/C10H14O/c1-3-8-5-6-9(4-2)10(8)7-11-10/h3-4,8-9H,1-2,5-7H2/t8-,9-/m1/s1
InChIKeyHTGWJSFAZSTFGQ-RKDXNWHRSA-N
MW150.22 g/mol
LogP2.15
Rot. Bonds2

About (4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane

(4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane (PubChem CID 11240580) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane.

Molecular Properties

Compound Name(4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane
PubChem CID11240580
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane
SMILESC=C[C@@H]1CC[C@@H](C=C)C12CO2
InChIInChI=1S/C10H14O/c1-3-8-5-6-9(4-2)10(8)7-11-10/h3-4,8-9H,1-2,5-7H2/t8-,9-/m1/s1
InChIKeyHTGWJSFAZSTFGQ-RKDXNWHRSA-N
XLogP2.15
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.15
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

3-ethenyl-2,2-dimethyloxolane
CID 70126391
(3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one
CID 102329754
(4aS,5aR,6S,9S,9aS,10aS)-6,9-bis(ethenyl)-5a,9a-dimethyl-1,2,3,4,4a,6,7,8,9,10a-decahydrodibenzo-p-dioxin
CID 11737483
(1R,2S,5R)-5-ethenyl-1-methylcyclopentane-1,2-diol
CID 130456562
(2-ethenyl-1-methylcyclobutyl)silane
CID 173136645
methyl (3R,6S,9R)-6,9-bis(ethenyl)-2-oxo-3-propan-2-yl-1-oxaspiro[4.4]nonane-3-carboxylate
CID 10541676
(2S)-1-chloro-2-ethenyl-1-fluorocyclopropane
CID 134934177
2-ethenyl-5-ethyl-1-methyl-1-propylcyclopentane
CID 143896493
1-[(2S,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]-4-bromobenzene
CID 10924264
5,6,6-tris(ethenyl)-2,2-dimethyloxasilinane
CID 175180881
(2'R,3aS,5'S,7aR)-2',5'-bis(ethenyl)spiro[3a,4,7,7a-tetrahydro-2-benzofuran-3,1'-cyclopentane]-1-one
CID 15197268
2,2-bis(oxiran-2-yl)oxirane
CID 88508066

Frequently Asked Questions

What is the IUPAC name of (4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane?
The IUPAC name of (4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane (CID 11240580) is (4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane.
What is the SMILES notation for (4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane?
The canonical SMILES for (4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane is C=C[C@@H]1CC[C@@H](C=C)C12CO2.
What is the InChIKey of (4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane?
The InChIKey is HTGWJSFAZSTFGQ-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H14O/c1-3-8-5-6-9(4-2)10(8)7-11-10/h3-4,8-9H,1-2,5-7H2/t8-,9-/m1/s1.
What are the key properties of (4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane?
(4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane has a molecular weight of 150.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane is sourced from PubChem (CID 11240580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).