(1S,5S)-6-propan-2-yloxybicyclo[3.2.0]heptan-2-one

C10H16O2 — CID 130754327

IUPAC(1S,5S)-6-propan-2-yloxybicyclo[3.2.0]heptan-2-one
SMILESCC(C)OC1C[C@@H]2C(=O)CC[C@H]12
InChIInChI=1S/C10H16O2/c1-6(2)12-10-5-8-7(10)3-4-9(8)11/h6-8,10H,3-5H2,1-2H3/t7-,8-,10?/m0/s1
InChIKeyFYXRCHJSUWGGHP-JIBHNJPVSA-N
MW168.24 g/mol
LogP1.78
Rot. Bonds2

About (1S,5S)-6-propan-2-yloxybicyclo[3.2.0]heptan-2-one

(1S,5S)-6-propan-2-yloxybicyclo[3.2.0]heptan-2-one (PubChem CID 130754327) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1S,5S)-6-propan-2-yloxybicyclo[3.2.0]heptan-2-one.

Molecular Properties

Compound Name(1S,5S)-6-propan-2-yloxybicyclo[3.2.0]heptan-2-one
PubChem CID130754327
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1S,5S)-6-propan-2-yloxybicyclo[3.2.0]heptan-2-one
SMILESCC(C)OC1C[C@@H]2C(=O)CC[C@H]12
InChIInChI=1S/C10H16O2/c1-6(2)12-10-5-8-7(10)3-4-9(8)11/h6-8,10H,3-5H2,1-2H3/t7-,8-,10?/m0/s1
InChIKeyFYXRCHJSUWGGHP-JIBHNJPVSA-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

Analyze (1S,5S)-6-propan-2-yloxybicyclo[3.2.0]heptan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one
CID 129403940
(3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione
CID 102156488
propan-2-yl 2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 22450693
2-(2-hydroxycycloheptyl)-4-propan-2-ylcyclohexan-1-one
CID 79417161
(1R,5S,6S)-6-(hydroxymethyl)bicyclo[3.2.0]heptan-2-one
CID 102285247
(1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione
CID 2752996
4-propan-2-yl-3-propan-2-yloxycyclohexan-1-one
CID 165497021
(1R,5S,6R)-5-tert-butylbicyclo[4.1.0]heptan-2-one
CID 165351609
(3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
CID 14045037
1-methyl-2-propan-2-yloxycyclopropane
CID 56606917
(8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane
CID 144560976
(1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one
CID 58906730

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-6-propan-2-yloxybicyclo[3.2.0]heptan-2-one?
The IUPAC name of (1S,5S)-6-propan-2-yloxybicyclo[3.2.0]heptan-2-one (CID 130754327) is (1S,5S)-6-propan-2-yloxybicyclo[3.2.0]heptan-2-one.
What is the SMILES notation for (1S,5S)-6-propan-2-yloxybicyclo[3.2.0]heptan-2-one?
The canonical SMILES for (1S,5S)-6-propan-2-yloxybicyclo[3.2.0]heptan-2-one is CC(C)OC1C[C@@H]2C(=O)CC[C@H]12.
What is the InChIKey of (1S,5S)-6-propan-2-yloxybicyclo[3.2.0]heptan-2-one?
The InChIKey is FYXRCHJSUWGGHP-JIBHNJPVSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)12-10-5-8-7(10)3-4-9(8)11/h6-8,10H,3-5H2,1-2H3/t7-,8-,10?/m0/s1.
What are the key properties of (1S,5S)-6-propan-2-yloxybicyclo[3.2.0]heptan-2-one?
(1S,5S)-6-propan-2-yloxybicyclo[3.2.0]heptan-2-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,5S)-6-propan-2-yloxybicyclo[3.2.0]heptan-2-one is sourced from PubChem (CID 130754327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).