(1R,2R,3S,6S,7R,9S)-9-ethoxytricyclo[5.2.1.02,6]dec-4-en-3-ol

C12H18O2 — CID 131019224

IUPAC(1R,2R,3S,6S,7R,9S)-9-ethoxytricyclo[5.2.1.02,6]dec-4-en-3-ol
SMILESCCO[C@H]1C[C@H]2C[C@@H]1[C@H]1[C@@H]2C=C[C@@H]1O
InChIInChI=1S/C12H18O2/c1-2-14-11-6-7-5-9(11)12-8(7)3-4-10(12)13/h3-4,7-13H,2,5-6H2,1H3/t7-,8-,9+,10+,11+,12-/m1/s1
InChIKeyCDHORTURANODMA-HRRXFJGFSA-N
MW194.27 g/mol
LogP1.59
Rot. Bonds2

About (1R,2R,3S,6S,7R,9S)-9-ethoxytricyclo[5.2.1.02,6]dec-4-en-3-ol

(1R,2R,3S,6S,7R,9S)-9-ethoxytricyclo[5.2.1.02,6]dec-4-en-3-ol (PubChem CID 131019224) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (1R,2R,3S,6S,7R,9S)-9-ethoxytricyclo[5.2.1.02,6]dec-4-en-3-ol.

Molecular Properties

Compound Name(1R,2R,3S,6S,7R,9S)-9-ethoxytricyclo[5.2.1.02,6]dec-4-en-3-ol
PubChem CID131019224
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(1R,2R,3S,6S,7R,9S)-9-ethoxytricyclo[5.2.1.02,6]dec-4-en-3-ol
SMILESCCO[C@H]1C[C@H]2C[C@@H]1[C@H]1[C@@H]2C=C[C@@H]1O
InChIInChI=1S/C12H18O2/c1-2-14-11-6-7-5-9(11)12-8(7)3-4-10(12)13/h3-4,7-13H,2,5-6H2,1H3/t7-,8-,9+,10+,11+,12-/m1/s1
InChIKeyCDHORTURANODMA-HRRXFJGFSA-N
XLogP1.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
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 (1R,2R,3S,6S,7R,9S)-9-ethoxytricyclo[5.2.1.02,6]dec-4-en-3-ol?
The IUPAC name of (1R,2R,3S,6S,7R,9S)-9-ethoxytricyclo[5.2.1.02,6]dec-4-en-3-ol (CID 131019224) is (1R,2R,3S,6S,7R,9S)-9-ethoxytricyclo[5.2.1.02,6]dec-4-en-3-ol.
What is the SMILES notation for (1R,2R,3S,6S,7R,9S)-9-ethoxytricyclo[5.2.1.02,6]dec-4-en-3-ol?
The canonical SMILES for (1R,2R,3S,6S,7R,9S)-9-ethoxytricyclo[5.2.1.02,6]dec-4-en-3-ol is CCO[C@H]1C[C@H]2C[C@@H]1[C@H]1[C@@H]2C=C[C@@H]1O.
What is the InChIKey of (1R,2R,3S,6S,7R,9S)-9-ethoxytricyclo[5.2.1.02,6]dec-4-en-3-ol?
The InChIKey is CDHORTURANODMA-HRRXFJGFSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-14-11-6-7-5-9(11)12-8(7)3-4-10(12)13/h3-4,7-13H,2,5-6H2,1H3/t7-,8-,9+,10+,11+,12-/m1/s1.
What are the key properties of (1R,2R,3S,6S,7R,9S)-9-ethoxytricyclo[5.2.1.02,6]dec-4-en-3-ol?
(1R,2R,3S,6S,7R,9S)-9-ethoxytricyclo[5.2.1.02,6]dec-4-en-3-ol has a molecular weight of 194.27 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,6S,7R,9S)-9-ethoxytricyclo[5.2.1.02,6]dec-4-en-3-ol is sourced from PubChem (CID 131019224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).