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

C11H16O2 — CID 10012521

IUPAC(1'S,6'S,8'S)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESC[C@H]1[C@@H]2C=CCC[C@@H]2C12OCCO2
InChIInChI=1S/C11H16O2/c1-8-9-4-2-3-5-10(9)11(8)12-6-7-13-11/h2,4,8-10H,3,5-7H2,1H3/t8-,9-,10-/m0/s1
InChIKeyAKHNEQGJSIELGA-GUBZILKMSA-N
MW180.25 g/mol
LogP1.96
Rot. Bonds

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

(1'S,6'S,8'S)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (PubChem CID 10012521) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1'S,6'S,8'S)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].

Molecular Properties

Compound Name(1'S,6'S,8'S)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
PubChem CID10012521
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(1'S,6'S,8'S)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESC[C@H]1[C@@H]2C=CCC[C@@H]2C12OCCO2
InChIInChI=1S/C11H16O2/c1-8-9-4-2-3-5-10(9)11(8)12-6-7-13-11/h2,4,8-10H,3,5-7H2,1H3/t8-,9-,10-/m0/s1
InChIKeyAKHNEQGJSIELGA-GUBZILKMSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'S,8'S)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The IUPAC name of (1'S,6'S,8'S)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (CID 10012521) is (1'S,6'S,8'S)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].
What is the SMILES notation for (1'S,6'S,8'S)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The canonical SMILES for (1'S,6'S,8'S)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is C[C@H]1[C@@H]2C=CCC[C@@H]2C12OCCO2.
What is the InChIKey of (1'S,6'S,8'S)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The InChIKey is AKHNEQGJSIELGA-GUBZILKMSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-9-4-2-3-5-10(9)11(8)12-6-7-13-11/h2,4,8-10H,3,5-7H2,1H3/t8-,9-,10-/m0/s1.
What are the key properties of (1'S,6'S,8'S)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
(1'S,6'S,8'S)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] has a molecular weight of 180.25 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,6'S,8'S)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is sourced from PubChem (CID 10012521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).