(1'R,2'S,6'R,7'S)-2'-methylspiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]

C13H16O2 — CID 10420451

IUPAC(1'R,2'S,6'R,7'S)-2'-methylspiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]
SMILESC[C@@]12C=CC3(OCCO3)[C@@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C13H16O2/c1-12-4-5-13(14-6-7-15-13)11(12)9-2-3-10(12)8-9/h2-5,9-11H,6-8H2,1H3/t9-,10+,11-,12+/m1/s1
InChIKeyFMAFUAKOJLGQQX-KXNHARMFSA-N
MW204.27 g/mol
LogP2.13
Rot. Bonds

About (1'R,2'S,6'R,7'S)-2'-methylspiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]

(1'R,2'S,6'R,7'S)-2'-methylspiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene] (PubChem CID 10420451) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (1'R,2'S,6'R,7'S)-2'-methylspiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene].

Molecular Properties

Compound Name(1'R,2'S,6'R,7'S)-2'-methylspiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]
PubChem CID10420451
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(1'R,2'S,6'R,7'S)-2'-methylspiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]
SMILESC[C@@]12C=CC3(OCCO3)[C@@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C13H16O2/c1-12-4-5-13(14-6-7-15-13)11(12)9-2-3-10(12)8-9/h2-5,9-11H,6-8H2,1H3/t9-,10+,11-,12+/m1/s1
InChIKeyFMAFUAKOJLGQQX-KXNHARMFSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.13
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'R,2'S,6'R,7'S)-2'-methylspiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]?
The IUPAC name of (1'R,2'S,6'R,7'S)-2'-methylspiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene] (CID 10420451) is (1'R,2'S,6'R,7'S)-2'-methylspiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene].
What is the SMILES notation for (1'R,2'S,6'R,7'S)-2'-methylspiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]?
The canonical SMILES for (1'R,2'S,6'R,7'S)-2'-methylspiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene] is C[C@@]12C=CC3(OCCO3)[C@@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1'R,2'S,6'R,7'S)-2'-methylspiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]?
The InChIKey is FMAFUAKOJLGQQX-KXNHARMFSA-N. The full InChI is InChI=1S/C13H16O2/c1-12-4-5-13(14-6-7-15-13)11(12)9-2-3-10(12)8-9/h2-5,9-11H,6-8H2,1H3/t9-,10+,11-,12+/m1/s1.
What are the key properties of (1'R,2'S,6'R,7'S)-2'-methylspiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]?
(1'R,2'S,6'R,7'S)-2'-methylspiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene] has a molecular weight of 204.27 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'S,6'R,7'S)-2'-methylspiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene] is sourced from PubChem (CID 10420451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).