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

C13H18O2 — CID 130198240

IUPAC(1'S,9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene]
SMILESCCC1=CC2[C@@H]3C1CC[C@@H]3C21OCCO1
InChIInChI=1S/C13H18O2/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/t9?,10-,11?,12+/m0/s1
InChIKeyCRZAKKKGOVOOHB-POSLAHMBSA-N
MW206.28 g/mol
LogP2.35
Rot. Bonds1

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

(1'S,9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene] (PubChem CID 130198240) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (1'S,9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene].

Molecular Properties

Compound Name(1'S,9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene]
PubChem CID130198240
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(1'S,9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene]
SMILESCCC1=CC2[C@@H]3C1CC[C@@H]3C21OCCO1
InChIInChI=1S/C13H18O2/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/t9?,10-,11?,12+/m0/s1
InChIKeyCRZAKKKGOVOOHB-POSLAHMBSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.35
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,9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene]?
The IUPAC name of (1'S,9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene] (CID 130198240) is (1'S,9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene].
What is the SMILES notation for (1'S,9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene]?
The canonical SMILES for (1'S,9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene] is CCC1=CC2[C@@H]3C1CC[C@@H]3C21OCCO1.
What is the InChIKey of (1'S,9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene]?
The InChIKey is CRZAKKKGOVOOHB-POSLAHMBSA-N. The full InChI is InChI=1S/C13H18O2/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/t9?,10-,11?,12+/m0/s1.
What are the key properties of (1'S,9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene]?
(1'S,9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene] has a molecular weight of 206.28 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,9'R)-5'-ethylspiro[1,3-dioxolane-2,2'-tricyclo[4.2.1.03,9]non-4-ene] is sourced from PubChem (CID 130198240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).