(1'S,3'R)-6'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]nonane]

C13H20O2 — CID 130198104

IUPAC(1'S,3'R)-6'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]nonane]
SMILESCCC12CC[C@@H]3C1[C@H](CC2)C31OCCO1
InChIInChI=1S/C13H20O2/c1-2-12-5-3-9-11(12)10(4-6-12)13(9)14-7-8-15-13/h9-11H,2-8H2,1H3/t9-,10+,11?,12?
InChIKeyJASGAONNPUNBLU-ZYANWLCNSA-N
MW208.30 g/mol
LogP2.58
Rot. Bonds1

About (1'S,3'R)-6'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]nonane]

(1'S,3'R)-6'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]nonane] (PubChem CID 130198104) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1'S,3'R)-6'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]nonane].

Molecular Properties

Compound Name(1'S,3'R)-6'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]nonane]
PubChem CID130198104
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1'S,3'R)-6'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]nonane]
SMILESCCC12CC[C@@H]3C1[C@H](CC2)C31OCCO1
InChIInChI=1S/C13H20O2/c1-2-12-5-3-9-11(12)10(4-6-12)13(9)14-7-8-15-13/h9-11H,2-8H2,1H3/t9-,10+,11?,12?
InChIKeyJASGAONNPUNBLU-ZYANWLCNSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1'S,3'R)-6'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]nonane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'S,3'R)-6'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]nonane]?
The IUPAC name of (1'S,3'R)-6'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]nonane] (CID 130198104) is (1'S,3'R)-6'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]nonane].
What is the SMILES notation for (1'S,3'R)-6'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]nonane]?
The canonical SMILES for (1'S,3'R)-6'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]nonane] is CCC12CC[C@@H]3C1[C@H](CC2)C31OCCO1.
What is the InChIKey of (1'S,3'R)-6'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]nonane]?
The InChIKey is JASGAONNPUNBLU-ZYANWLCNSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-12-5-3-9-11(12)10(4-6-12)13(9)14-7-8-15-13/h9-11H,2-8H2,1H3/t9-,10+,11?,12?.
What are the key properties of (1'S,3'R)-6'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]nonane]?
(1'S,3'R)-6'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]nonane] has a molecular weight of 208.30 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,3'R)-6'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]nonane] is sourced from PubChem (CID 130198104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).