(1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one

C9H14O2 — CID 131856385

IUPAC(1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one
SMILESCO[C@@]12CCCC[C@@H]1CC2=O
InChIInChI=1S/C9H14O2/c1-11-9-5-3-2-4-7(9)6-8(9)10/h7H,2-6H2,1H3/t7-,9+/m1/s1
InChIKeyATQZZMPQRDULAS-APPZFPTMSA-N
MW154.21 g/mol
LogP1.53
Rot. Bonds1

About (1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one

(1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one (PubChem CID 131856385) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one.

Molecular Properties

Compound Name(1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one
PubChem CID131856385
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one
SMILESCO[C@@]12CCCC[C@@H]1CC2=O
InChIInChI=1S/C9H14O2/c1-11-9-5-3-2-4-7(9)6-8(9)10/h7H,2-6H2,1H3/t7-,9+/m1/s1
InChIKeyATQZZMPQRDULAS-APPZFPTMSA-N
XLogP1.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 125027872
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CID 73040180
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(1S,5S)-5-prop-1-en-2-ylbicyclo[3.2.0]heptan-6-one
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3a-methyl-1,2,3,5,6,7,8,8a-octahydroazulen-4-one
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CID 126990628
1-cyclopropyl-1-methoxycyclopentane
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Frequently Asked Questions

What is the IUPAC name of (1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one?
The IUPAC name of (1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one (CID 131856385) is (1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one.
What is the SMILES notation for (1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one?
The canonical SMILES for (1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one is CO[C@@]12CCCC[C@@H]1CC2=O.
What is the InChIKey of (1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one?
The InChIKey is ATQZZMPQRDULAS-APPZFPTMSA-N. The full InChI is InChI=1S/C9H14O2/c1-11-9-5-3-2-4-7(9)6-8(9)10/h7H,2-6H2,1H3/t7-,9+/m1/s1.
What are the key properties of (1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one?
(1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one has a molecular weight of 154.21 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one is sourced from PubChem (CID 131856385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).