(1'S,6'R)-6'-methoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]

C12H18O3 — CID 70356913

IUPAC(1'S,6'R)-6'-methoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCO[C@]12CCC=C[C@H]1C(C)C21OCCO1
InChIInChI=1S/C12H18O3/c1-9-10-5-3-4-6-11(10,13-2)12(9)14-7-8-15-12/h3,5,9-10H,4,6-8H2,1-2H3/t9?,10-,11+/m0/s1
InChIKeyISFXSBODKIXXQP-QXXIUIOUSA-N
MW210.27 g/mol
LogP1.73
Rot. Bonds1

About (1'S,6'R)-6'-methoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]

(1'S,6'R)-6'-methoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (PubChem CID 70356913) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (1'S,6'R)-6'-methoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].

Molecular Properties

Compound Name(1'S,6'R)-6'-methoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
PubChem CID70356913
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(1'S,6'R)-6'-methoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCO[C@]12CCC=C[C@H]1C(C)C21OCCO1
InChIInChI=1S/C12H18O3/c1-9-10-5-3-4-6-11(10,13-2)12(9)14-7-8-15-12/h3,5,9-10H,4,6-8H2,1-2H3/t9?,10-,11+/m0/s1
InChIKeyISFXSBODKIXXQP-QXXIUIOUSA-N
XLogP1.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1'S,6'R)-6'-methoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The IUPAC name of (1'S,6'R)-6'-methoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (CID 70356913) is (1'S,6'R)-6'-methoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].
What is the SMILES notation for (1'S,6'R)-6'-methoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The canonical SMILES for (1'S,6'R)-6'-methoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is CO[C@]12CCC=C[C@H]1C(C)C21OCCO1.
What is the InChIKey of (1'S,6'R)-6'-methoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The InChIKey is ISFXSBODKIXXQP-QXXIUIOUSA-N. The full InChI is InChI=1S/C12H18O3/c1-9-10-5-3-4-6-11(10,13-2)12(9)14-7-8-15-12/h3,5,9-10H,4,6-8H2,1-2H3/t9?,10-,11+/m0/s1.
What are the key properties of (1'S,6'R)-6'-methoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
(1'S,6'R)-6'-methoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] has a molecular weight of 210.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,6'R)-6'-methoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is sourced from PubChem (CID 70356913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).