(1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one

C8H12O2 — CID 89135582

IUPAC(1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one
SMILESCCOC1[C@H]2C(=O)CC[C@@H]12
InChIInChI=1S/C8H12O2/c1-2-10-8-5-3-4-6(9)7(5)8/h5,7-8H,2-4H2,1H3/t5-,7-,8?/m1/s1
InChIKeyQMTZHEIOOYSQKD-ULFNDUEJSA-N
MW140.18 g/mol
LogP1.00
Rot. Bonds2

About (1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one

(1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one (PubChem CID 89135582) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one
PubChem CID89135582
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one
SMILESCCOC1[C@H]2C(=O)CC[C@@H]12
InChIInChI=1S/C8H12O2/c1-2-10-8-5-3-4-6(9)7(5)8/h5,7-8H,2-4H2,1H3/t5-,7-,8?/m1/s1
InChIKeyQMTZHEIOOYSQKD-ULFNDUEJSA-N
XLogP1.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one (CID 89135582) is (1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one is CCOC1[C@H]2C(=O)CC[C@@H]12.
What is the InChIKey of (1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one?
The InChIKey is QMTZHEIOOYSQKD-ULFNDUEJSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-10-8-5-3-4-6(9)7(5)8/h5,7-8H,2-4H2,1H3/t5-,7-,8?/m1/s1.
What are the key properties of (1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one?
(1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 89135582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).