(1S,2S,4R,7S)-7-ethenylbicyclo[2.2.1]heptane-2,7-diol

C9H14O2 — CID 131201909

IUPAC(1S,2S,4R,7S)-7-ethenylbicyclo[2.2.1]heptane-2,7-diol
SMILESC=C[C@]1(O)[C@@H]2CC[C@H]1[C@@H](O)C2
InChIInChI=1S/C9H14O2/c1-2-9(11)6-3-4-7(9)8(10)5-6/h2,6-8,10-11H,1,3-5H2/t6-,7+,8+,9+/m1/s1
InChIKeyFYDBXRROJGQHKV-XGEHTFHBSA-N
MW154.21 g/mol
LogP0.69
Rot. Bonds1

About (1S,2S,4R,7S)-7-ethenylbicyclo[2.2.1]heptane-2,7-diol

(1S,2S,4R,7S)-7-ethenylbicyclo[2.2.1]heptane-2,7-diol (PubChem CID 131201909) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1S,2S,4R,7S)-7-ethenylbicyclo[2.2.1]heptane-2,7-diol.

Molecular Properties

Compound Name(1S,2S,4R,7S)-7-ethenylbicyclo[2.2.1]heptane-2,7-diol
PubChem CID131201909
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1S,2S,4R,7S)-7-ethenylbicyclo[2.2.1]heptane-2,7-diol
SMILESC=C[C@]1(O)[C@@H]2CC[C@H]1[C@@H](O)C2
InChIInChI=1S/C9H14O2/c1-2-9(11)6-3-4-7(9)8(10)5-6/h2,6-8,10-11H,1,3-5H2/t6-,7+,8+,9+/m1/s1
InChIKeyFYDBXRROJGQHKV-XGEHTFHBSA-N
XLogP0.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
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 (1S,2S,4R,7S)-7-ethenylbicyclo[2.2.1]heptane-2,7-diol?
The IUPAC name of (1S,2S,4R,7S)-7-ethenylbicyclo[2.2.1]heptane-2,7-diol (CID 131201909) is (1S,2S,4R,7S)-7-ethenylbicyclo[2.2.1]heptane-2,7-diol.
What is the SMILES notation for (1S,2S,4R,7S)-7-ethenylbicyclo[2.2.1]heptane-2,7-diol?
The canonical SMILES for (1S,2S,4R,7S)-7-ethenylbicyclo[2.2.1]heptane-2,7-diol is C=C[C@]1(O)[C@@H]2CC[C@H]1[C@@H](O)C2.
What is the InChIKey of (1S,2S,4R,7S)-7-ethenylbicyclo[2.2.1]heptane-2,7-diol?
The InChIKey is FYDBXRROJGQHKV-XGEHTFHBSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-9(11)6-3-4-7(9)8(10)5-6/h2,6-8,10-11H,1,3-5H2/t6-,7+,8+,9+/m1/s1.
What are the key properties of (1S,2S,4R,7S)-7-ethenylbicyclo[2.2.1]heptane-2,7-diol?
(1S,2S,4R,7S)-7-ethenylbicyclo[2.2.1]heptane-2,7-diol has a molecular weight of 154.21 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,7S)-7-ethenylbicyclo[2.2.1]heptane-2,7-diol is sourced from PubChem (CID 131201909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).