(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane

C9H16 — CID 101415257

IUPAC(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane
SMILESCC(C)[C@]12CCC[C@H]1C2
InChIInChI=1S/C9H16/c1-7(2)9-5-3-4-8(9)6-9/h7-8H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyNNLOXUVOMXPMSG-DTWKUNHWSA-N
MW124.23 g/mol
LogP2.83
Rot. Bonds1

About (1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane

(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane (PubChem CID 101415257) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane
PubChem CID101415257
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane
SMILESCC(C)[C@]12CCC[C@H]1C2
InChIInChI=1S/C9H16/c1-7(2)9-5-3-4-8(9)6-9/h7-8H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyNNLOXUVOMXPMSG-DTWKUNHWSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane with MolForge

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Related Compounds

molecular hydrogen;(1S)-1-propan-2-ylbicyclo[2.1.0]pentane;hydrofluoride
CID 157031643
1-pentan-2-ylbicyclo[3.1.0]hexane
CID 147905312
1-propan-2-ylbicyclo[1.1.0]butane
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1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane
CID 143295904
1-methyl-3-(4-methyl-1-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane
CID 173110598
1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane
CID 173089072
(3aS,6aR)-6a-propan-2-yl-2,3,3a,6-tetrahydro-1H-pentalene
CID 97302755
6a-propan-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c]dithiole
CID 170376837
(4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine
CID 176727365
1-[(3aR)-3a-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone;ethane;hydrofluoride
CID 172577537
3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 166020567
1-pentan-3-ylbicyclo[2.1.0]pentane
CID 123671929

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane (CID 101415257) is (1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane is CC(C)[C@]12CCC[C@H]1C2.
What is the InChIKey of (1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane?
The InChIKey is NNLOXUVOMXPMSG-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H16/c1-7(2)9-5-3-4-8(9)6-9/h7-8H,3-6H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane?
(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane has a molecular weight of 124.23 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane is sourced from PubChem (CID 101415257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).