(9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene];methane;molecular hydrogen

C14H24O2 — CID 145343232

IUPAC(9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene];methane;molecular hydrogen
SMILESC.CCC1=CC2[C@@H]3C1CCC3C21OCCO1.[H][H]
InChIInChI=1S/C13H18O2.CH4.H2/c1-2-8-7-11-12-9(8)3-4-10(12)13(11)14-5-6-15-13;;/h7,9-12H,2-6H2,1H3;1H4;1H/t9?,10?,11?,12-;;/m1../s1
InChIKeyIRAAJJZSISLPSF-XZQCWBKPSA-N
MW224.34 g/mol
LogP3.23
Rot. Bonds1

About (9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene];methane;molecular hydrogen

(9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene];methane;molecular hydrogen (PubChem CID 145343232) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene];methane;molecular hydrogen.

Molecular Properties

Compound Name(9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene];methane;molecular hydrogen
PubChem CID145343232
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene];methane;molecular hydrogen
SMILESC.CCC1=CC2[C@@H]3C1CCC3C21OCCO1.[H][H]
InChIInChI=1S/C13H18O2.CH4.H2/c1-2-8-7-11-12-9(8)3-4-10(12)13(11)14-5-6-15-13;;/h7,9-12H,2-6H2,1H3;1H4;1H/t9?,10?,11?,12-;;/m1../s1
InChIKeyIRAAJJZSISLPSF-XZQCWBKPSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.23
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 (9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene];methane;molecular hydrogen?
The IUPAC name of (9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene];methane;molecular hydrogen (CID 145343232) is (9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene];methane;molecular hydrogen.
What is the SMILES notation for (9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene];methane;molecular hydrogen?
The canonical SMILES for (9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene];methane;molecular hydrogen is C.CCC1=CC2[C@@H]3C1CCC3C21OCCO1.[H][H].
What is the InChIKey of (9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene];methane;molecular hydrogen?
The InChIKey is IRAAJJZSISLPSF-XZQCWBKPSA-N. The full InChI is InChI=1S/C13H18O2.CH4.H2/c1-2-8-7-11-12-9(8)3-4-10(12)13(11)14-5-6-15-13;;/h7,9-12H,2-6H2,1H3;1H4;1H/t9?,10?,11?,12-;;/m1../s1.
What are the key properties of (9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene];methane;molecular hydrogen?
(9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene];methane;molecular hydrogen has a molecular weight of 224.34 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene];methane;molecular hydrogen is sourced from PubChem (CID 145343232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).