(1S,5R)-3-ethoxybicyclo[3.2.1]octan-8-one

C10H16O2 — CID 158175784

IUPAC(1S,5R)-3-ethoxybicyclo[3.2.1]octan-8-one
SMILESCCOC1C[C@H]2CC[C@@H](C1)C2=O
InChIInChI=1S/C10H16O2/c1-2-12-9-5-7-3-4-8(6-9)10(7)11/h7-9H,2-6H2,1H3/t7-,8+,9?
InChIKeyDVFCBXBGSWEEDO-JVHMLUBASA-N
MW168.24 g/mol
LogP1.78
Rot. Bonds2

About (1S,5R)-3-ethoxybicyclo[3.2.1]octan-8-one

(1S,5R)-3-ethoxybicyclo[3.2.1]octan-8-one (PubChem CID 158175784) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1S,5R)-3-ethoxybicyclo[3.2.1]octan-8-one.

Molecular Properties

Compound Name(1S,5R)-3-ethoxybicyclo[3.2.1]octan-8-one
PubChem CID158175784
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1S,5R)-3-ethoxybicyclo[3.2.1]octan-8-one
SMILESCCOC1C[C@H]2CC[C@@H](C1)C2=O
InChIInChI=1S/C10H16O2/c1-2-12-9-5-7-3-4-8(6-9)10(7)11/h7-9H,2-6H2,1H3/t7-,8+,9?
InChIKeyDVFCBXBGSWEEDO-JVHMLUBASA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-ethoxybicyclo[3.2.1]octan-8-one?
The IUPAC name of (1S,5R)-3-ethoxybicyclo[3.2.1]octan-8-one (CID 158175784) is (1S,5R)-3-ethoxybicyclo[3.2.1]octan-8-one.
What is the SMILES notation for (1S,5R)-3-ethoxybicyclo[3.2.1]octan-8-one?
The canonical SMILES for (1S,5R)-3-ethoxybicyclo[3.2.1]octan-8-one is CCOC1C[C@H]2CC[C@@H](C1)C2=O.
What is the InChIKey of (1S,5R)-3-ethoxybicyclo[3.2.1]octan-8-one?
The InChIKey is DVFCBXBGSWEEDO-JVHMLUBASA-N. The full InChI is InChI=1S/C10H16O2/c1-2-12-9-5-7-3-4-8(6-9)10(7)11/h7-9H,2-6H2,1H3/t7-,8+,9?.
What are the key properties of (1S,5R)-3-ethoxybicyclo[3.2.1]octan-8-one?
(1S,5R)-3-ethoxybicyclo[3.2.1]octan-8-one has a molecular weight of 168.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-ethoxybicyclo[3.2.1]octan-8-one is sourced from PubChem (CID 158175784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).