(1S,4S,5R)-3-methoxyspiro[bicyclo[3.2.1]oct-2-ene-4,2'-oxolane]

C12H18O2 — CID 15946869

IUPAC(1S,4S,5R)-3-methoxyspiro[bicyclo[3.2.1]oct-2-ene-4,2'-oxolane]
SMILESCOC1=C[C@H]2CC[C@H](C2)[C@@]12CCCO2
InChIInChI=1S/C12H18O2/c1-13-11-8-9-3-4-10(7-9)12(11)5-2-6-14-12/h8-10H,2-7H2,1H3/t9-,10+,12-/m0/s1
InChIKeyUAXQAABRPUDMOR-UMNHJUIQSA-N
MW194.27 g/mol
LogP2.50
Rot. Bonds1

About (1S,4S,5R)-3-methoxyspiro[bicyclo[3.2.1]oct-2-ene-4,2'-oxolane]

(1S,4S,5R)-3-methoxyspiro[bicyclo[3.2.1]oct-2-ene-4,2'-oxolane] (PubChem CID 15946869) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (1S,4S,5R)-3-methoxyspiro[bicyclo[3.2.1]oct-2-ene-4,2'-oxolane].

Molecular Properties

Compound Name(1S,4S,5R)-3-methoxyspiro[bicyclo[3.2.1]oct-2-ene-4,2'-oxolane]
PubChem CID15946869
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(1S,4S,5R)-3-methoxyspiro[bicyclo[3.2.1]oct-2-ene-4,2'-oxolane]
SMILESCOC1=C[C@H]2CC[C@H](C2)[C@@]12CCCO2
InChIInChI=1S/C12H18O2/c1-13-11-8-9-3-4-10(7-9)12(11)5-2-6-14-12/h8-10H,2-7H2,1H3/t9-,10+,12-/m0/s1
InChIKeyUAXQAABRPUDMOR-UMNHJUIQSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,4S,5R)-3-methoxyspiro[bicyclo[3.2.1]oct-2-ene-4,2'-oxolane] with MolForge

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Related Compounds

6-Methoxy-1-oxaspiro[4.5]dec-6-ene
CID 15946867
10-Methoxy-6,6-dimethyl-1-oxaspiro[4.5]dec-9-ene
CID 15946868

Frequently Asked Questions

What is the IUPAC name of (1S,4S,5R)-3-methoxyspiro[bicyclo[3.2.1]oct-2-ene-4,2'-oxolane]?
The IUPAC name of (1S,4S,5R)-3-methoxyspiro[bicyclo[3.2.1]oct-2-ene-4,2'-oxolane] (CID 15946869) is (1S,4S,5R)-3-methoxyspiro[bicyclo[3.2.1]oct-2-ene-4,2'-oxolane].
What is the SMILES notation for (1S,4S,5R)-3-methoxyspiro[bicyclo[3.2.1]oct-2-ene-4,2'-oxolane]?
The canonical SMILES for (1S,4S,5R)-3-methoxyspiro[bicyclo[3.2.1]oct-2-ene-4,2'-oxolane] is COC1=C[C@H]2CC[C@H](C2)[C@@]12CCCO2.
What is the InChIKey of (1S,4S,5R)-3-methoxyspiro[bicyclo[3.2.1]oct-2-ene-4,2'-oxolane]?
The InChIKey is UAXQAABRPUDMOR-UMNHJUIQSA-N. The full InChI is InChI=1S/C12H18O2/c1-13-11-8-9-3-4-10(7-9)12(11)5-2-6-14-12/h8-10H,2-7H2,1H3/t9-,10+,12-/m0/s1.
What are the key properties of (1S,4S,5R)-3-methoxyspiro[bicyclo[3.2.1]oct-2-ene-4,2'-oxolane]?
(1S,4S,5R)-3-methoxyspiro[bicyclo[3.2.1]oct-2-ene-4,2'-oxolane] has a molecular weight of 194.27 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5R)-3-methoxyspiro[bicyclo[3.2.1]oct-2-ene-4,2'-oxolane] is sourced from PubChem (CID 15946869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).