(1R,5R,6S)-6-ethoxybicyclo[3.2.0]heptan-2-one

C9H14O2 — CID 14939343

IUPAC(1R,5R,6S)-6-ethoxybicyclo[3.2.0]heptan-2-one
SMILESCCO[C@H]1C[C@H]2C(=O)CC[C@@H]12
InChIInChI=1S/C9H14O2/c1-2-11-9-5-7-6(9)3-4-8(7)10/h6-7,9H,2-5H2,1H3/t6-,7-,9+/m1/s1
InChIKeyZSRRCVLTLFMRNU-BHNWBGBOSA-N
MW154.21 g/mol
LogP1.39
Rot. Bonds2

About (1R,5R,6S)-6-ethoxybicyclo[3.2.0]heptan-2-one

(1R,5R,6S)-6-ethoxybicyclo[3.2.0]heptan-2-one (PubChem CID 14939343) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1R,5R,6S)-6-ethoxybicyclo[3.2.0]heptan-2-one.

Molecular Properties

Compound Name(1R,5R,6S)-6-ethoxybicyclo[3.2.0]heptan-2-one
PubChem CID14939343
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1R,5R,6S)-6-ethoxybicyclo[3.2.0]heptan-2-one
SMILESCCO[C@H]1C[C@H]2C(=O)CC[C@@H]12
InChIInChI=1S/C9H14O2/c1-2-11-9-5-7-6(9)3-4-8(7)10/h6-7,9H,2-5H2,1H3/t6-,7-,9+/m1/s1
InChIKeyZSRRCVLTLFMRNU-BHNWBGBOSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S)-6-ethoxybicyclo[3.2.0]heptan-2-one?
The IUPAC name of (1R,5R,6S)-6-ethoxybicyclo[3.2.0]heptan-2-one (CID 14939343) is (1R,5R,6S)-6-ethoxybicyclo[3.2.0]heptan-2-one.
What is the SMILES notation for (1R,5R,6S)-6-ethoxybicyclo[3.2.0]heptan-2-one?
The canonical SMILES for (1R,5R,6S)-6-ethoxybicyclo[3.2.0]heptan-2-one is CCO[C@H]1C[C@H]2C(=O)CC[C@@H]12.
What is the InChIKey of (1R,5R,6S)-6-ethoxybicyclo[3.2.0]heptan-2-one?
The InChIKey is ZSRRCVLTLFMRNU-BHNWBGBOSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-11-9-5-7-6(9)3-4-8(7)10/h6-7,9H,2-5H2,1H3/t6-,7-,9+/m1/s1.
What are the key properties of (1R,5R,6S)-6-ethoxybicyclo[3.2.0]heptan-2-one?
(1R,5R,6S)-6-ethoxybicyclo[3.2.0]heptan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S)-6-ethoxybicyclo[3.2.0]heptan-2-one is sourced from PubChem (CID 14939343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).