cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane

C12H24 — CID 158565558

IUPACcis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane
SMILESC[C@@H]1CCC[C@H](CC(C)(C)C)C1
InChIInChI=1S/C12H24/c1-10-6-5-7-11(8-10)9-12(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+/m1/s1
InChIKeyKCXKSSYRQVWFDY-MNOVXSKESA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds1

About cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane

cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane (PubChem CID 158565558) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane.

Molecular Properties

Compound Namecis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane
PubChem CID158565558
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Namecis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane
SMILESC[C@@H]1CCC[C@H](CC(C)(C)C)C1
InChIInChI=1S/C12H24/c1-10-6-5-7-11(8-10)9-12(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+/m1/s1
InChIKeyKCXKSSYRQVWFDY-MNOVXSKESA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,2-dimethylpropyl)-3-methylcyclopentane
CID 58530421
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
2,2-dimethylpropane;2,2-dimethylpropylcyclobutane
CID 167591215
1,1,1,3,3,3-hexafluoro-2-[(3-methylcyclohexyl)methyl]propan-2-ol
CID 162553293
ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 171814310
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
[(1S)-3-methylcyclohexyl]methanol
CID 89207619
(3-methylcyclohexyl)methanamine
CID 18361468
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
(3S)-1-(methoxymethyl)-3-methylcyclohexane
CID 142198036
(1R)-1,3-dimethylcyclohexane
CID 12594306

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane?
The IUPAC name of cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane (CID 158565558) is cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane.
What is the SMILES notation for cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane?
The canonical SMILES for cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane is C[C@@H]1CCC[C@H](CC(C)(C)C)C1.
What is the InChIKey of cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane?
The InChIKey is KCXKSSYRQVWFDY-MNOVXSKESA-N. The full InChI is InChI=1S/C12H24/c1-10-6-5-7-11(8-10)9-12(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+/m1/s1.
What are the key properties of cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane?
cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane is sourced from PubChem (CID 158565558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).