(1S,7S)-7-ethyl-1-hydroxybicyclo[3.2.0]heptan-6-one

C9H14O2 — CID 102498911

IUPAC(1S,7S)-7-ethyl-1-hydroxybicyclo[3.2.0]heptan-6-one
SMILESCC[C@@H]1C(=O)C2CCC[C@@]21O
InChIInChI=1S/C9H14O2/c1-2-6-8(10)7-4-3-5-9(6,7)11/h6-7,11H,2-5H2,1H3/t6-,7?,9+/m1/s1
InChIKeyDSNURGLHVRNQHL-YUTBPMSOSA-N
MW154.21 g/mol
LogP1.13
Rot. Bonds1

About (1S,7S)-7-ethyl-1-hydroxybicyclo[3.2.0]heptan-6-one

(1S,7S)-7-ethyl-1-hydroxybicyclo[3.2.0]heptan-6-one (PubChem CID 102498911) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1S,7S)-7-ethyl-1-hydroxybicyclo[3.2.0]heptan-6-one.

Molecular Properties

Compound Name(1S,7S)-7-ethyl-1-hydroxybicyclo[3.2.0]heptan-6-one
PubChem CID102498911
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1S,7S)-7-ethyl-1-hydroxybicyclo[3.2.0]heptan-6-one
SMILESCC[C@@H]1C(=O)C2CCC[C@@]21O
InChIInChI=1S/C9H14O2/c1-2-6-8(10)7-4-3-5-9(6,7)11/h6-7,11H,2-5H2,1H3/t6-,7?,9+/m1/s1
InChIKeyDSNURGLHVRNQHL-YUTBPMSOSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5S,7R)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one
CID 178195285
(1R,5R,7S)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one
CID 130754981
(1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one
CID 1426479
(1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one
CID 98134055
2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde
CID 114795390
8a-hydroxy-1,2,3,3a,5,6,7,8-octahydroazulen-4-one
CID 10773424
1-cycloheptyl-4-ethylcycloheptan-1-ol
CID 82929121
(4aR,4bS,8aR,8bR,9R,12aS,12bR)-9-ethyl-12a-hydroxy-3,4,4a,4b,6,7,8,8a,8b,9,10,11,12,12b-tetradecahydro-2H-triphenylene-1,5-dione
CID 139060461
2-ethyl-1-hydroxycyclopentane-1-sulfonic acid
CID 103574067
1-(2-ethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol
CID 64754170
2-ethyl-3-hydroxycyclopropan-1-one
CID 90788395
4-ethyl-1-(4-ethylcyclohexyl)cycloheptan-1-ol
CID 65085835

Frequently Asked Questions

What is the IUPAC name of (1S,7S)-7-ethyl-1-hydroxybicyclo[3.2.0]heptan-6-one?
The IUPAC name of (1S,7S)-7-ethyl-1-hydroxybicyclo[3.2.0]heptan-6-one (CID 102498911) is (1S,7S)-7-ethyl-1-hydroxybicyclo[3.2.0]heptan-6-one.
What is the SMILES notation for (1S,7S)-7-ethyl-1-hydroxybicyclo[3.2.0]heptan-6-one?
The canonical SMILES for (1S,7S)-7-ethyl-1-hydroxybicyclo[3.2.0]heptan-6-one is CC[C@@H]1C(=O)C2CCC[C@@]21O.
What is the InChIKey of (1S,7S)-7-ethyl-1-hydroxybicyclo[3.2.0]heptan-6-one?
The InChIKey is DSNURGLHVRNQHL-YUTBPMSOSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-6-8(10)7-4-3-5-9(6,7)11/h6-7,11H,2-5H2,1H3/t6-,7?,9+/m1/s1.
What are the key properties of (1S,7S)-7-ethyl-1-hydroxybicyclo[3.2.0]heptan-6-one?
(1S,7S)-7-ethyl-1-hydroxybicyclo[3.2.0]heptan-6-one has a molecular weight of 154.21 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S)-7-ethyl-1-hydroxybicyclo[3.2.0]heptan-6-one is sourced from PubChem (CID 102498911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).