(1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane

C12H18O — CID 102071717

IUPAC(1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane
SMILESC=CO[C@@H]1C[C@@H]2C[C@H]1[C@H]1CCC[C@@H]21
InChIInChI=1S/C12H18O/c1-2-13-12-7-8-6-11(12)10-5-3-4-9(8)10/h2,8-12H,1,3-7H2/t8-,9-,10-,11-,12+/m0/s1
InChIKeyPKTORKCIXKNVFR-UHFZAUJKSA-N
MW178.27 g/mol
LogP2.97
Rot. Bonds2

About (1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane

(1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane (PubChem CID 102071717) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane
PubChem CID102071717
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane
SMILESC=CO[C@@H]1C[C@@H]2C[C@H]1[C@H]1CCC[C@@H]21
InChIInChI=1S/C12H18O/c1-2-13-12-7-8-6-11(12)10-5-3-4-9(8)10/h2,8-12H,1,3-7H2/t8-,9-,10-,11-,12+/m0/s1
InChIKeyPKTORKCIXKNVFR-UHFZAUJKSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 20676852
(8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane
CID 144560976
[(1S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl] 2-methylprop-2-enoate
CID 102408492
8-tricyclo[5.2.1.02,6]decanyl 2-ethyl-2-methylbut-3-enoate
CID 144690452
azane;8-tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate
CID 174404217
potassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate
CID 131841816
potassium 8-tricyclo[5.2.1.02,6]decanyloxymethanedithioic acid
CID 45479729
2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate
CID 66595925
9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 22034576
8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane
CID 123684704
2-tert-butyl-2,3,3-trimethyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)butan-1-ol
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Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane?
The IUPAC name of (1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane (CID 102071717) is (1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane is C=CO[C@@H]1C[C@@H]2C[C@H]1[C@H]1CCC[C@@H]21.
What is the InChIKey of (1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane?
The InChIKey is PKTORKCIXKNVFR-UHFZAUJKSA-N. The full InChI is InChI=1S/C12H18O/c1-2-13-12-7-8-6-11(12)10-5-3-4-9(8)10/h2,8-12H,1,3-7H2/t8-,9-,10-,11-,12+/m0/s1.
What are the key properties of (1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane?
(1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane has a molecular weight of 178.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 102071717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).