cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one

C10H18O — CID 126671040

IUPACcis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one
SMILESCC(C)[C@@H]1C(=O)CCC[C@H]1C
InChIInChI=1S/C10H18O/c1-7(2)10-8(3)5-4-6-9(10)11/h7-8,10H,4-6H2,1-3H3/t8-,10+/m1/s1
InChIKeyVMRPTQYLPHRYQR-SCZZXKLOSA-N
MW154.25 g/mol
LogP2.65
Rot. Bonds1

About cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one

cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one (PubChem CID 126671040) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Namecis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one
PubChem CID126671040
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Namecis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one
SMILESCC(C)[C@@H]1C(=O)CCC[C@H]1C
InChIInChI=1S/C10H18O/c1-7(2)10-8(3)5-4-6-9(10)11/h7-8,10H,4-6H2,1-3H3/t8-,10+/m1/s1
InChIKeyVMRPTQYLPHRYQR-SCZZXKLOSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one
CID 14379837
3-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid
CID 83816190
2-(2-methylpropylsulfanyl)cyclopentan-1-one
CID 43412809
(4aR,8R,8aS)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
CID 14970656
(3aS,7aR)-1-methyl-1,2,3,3a,5,6,7,7a-octahydroinden-4-one
CID 10534861
2-methyl-3-(2-oxocyclopentyl)-5-propan-2-ylcyclohexan-1-one
CID 10944446
N-[(R)-[(1R,2R)-2-methyl-6-oxocyclohexyl]-phenylmethyl]benzamide
CID 56931733
2-(1-bromoethyl)cyclopentan-1-one
CID 174906368
trans-(2R,3R)-2-iodo-3-methylcycloheptan-1-one
CID 101089137
2-propan-2-ylcycloheptadecane-1,3-dione
CID 173164440
(3R,3aS,7aS)-3-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-4-one
CID 10607477
2-[methyl(2-methylpropyl)amino]cyclopentan-1-one
CID 43795675

Frequently Asked Questions

What is the IUPAC name of cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one?
The IUPAC name of cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one (CID 126671040) is cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one?
The canonical SMILES for cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one is CC(C)[C@@H]1C(=O)CCC[C@H]1C.
What is the InChIKey of cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one?
The InChIKey is VMRPTQYLPHRYQR-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)10-8(3)5-4-6-9(10)11/h7-8,10H,4-6H2,1-3H3/t8-,10+/m1/s1.
What are the key properties of cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one?
cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one has a molecular weight of 154.25 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 126671040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).