(2S,5S,6R)-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene

C13H16O — CID 155929543

IUPAC(2S,5S,6R)-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC=CCO[C@H]1C=C[C@H]2C3C=CC(C3)[C@@H]12
InChIInChI=1S/C13H16O/c1-2-7-14-12-6-5-11-9-3-4-10(8-9)13(11)12/h2-6,9-13H,1,7-8H2/t9?,10?,11-,12-,13+/m0/s1
InChIKeyHTFMAAFHWMBLBV-KAKVVRBNSA-N
MW188.27 g/mol
LogP2.57
Rot. Bonds3

About (2S,5S,6R)-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene

(2S,5S,6R)-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 155929543) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S,5S,6R)-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name(2S,5S,6R)-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID155929543
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(2S,5S,6R)-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC=CCO[C@H]1C=C[C@H]2C3C=CC(C3)[C@@H]12
InChIInChI=1S/C13H16O/c1-2-7-14-12-6-5-11-9-3-4-10(8-9)13(11)12/h2-6,9-13H,1,7-8H2/t9?,10?,11-,12-,13+/m0/s1
InChIKeyHTFMAAFHWMBLBV-KAKVVRBNSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2S,5S,6R)-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of (2S,5S,6R)-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene (CID 155929543) is (2S,5S,6R)-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for (2S,5S,6R)-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for (2S,5S,6R)-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene is C=CCO[C@H]1C=C[C@H]2C3C=CC(C3)[C@@H]12.
What is the InChIKey of (2S,5S,6R)-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is HTFMAAFHWMBLBV-KAKVVRBNSA-N. The full InChI is InChI=1S/C13H16O/c1-2-7-14-12-6-5-11-9-3-4-10(8-9)13(11)12/h2-6,9-13H,1,7-8H2/t9?,10?,11-,12-,13+/m0/s1.
What are the key properties of (2S,5S,6R)-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene?
(2S,5S,6R)-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 188.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S,6R)-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 155929543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).