1-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylcyclohexane

C12H24 — CID 165161493

IUPAC1-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylcyclohexane
SMILES[2H]C([2H])(C1CCC(C)CC1)C(C)(C)C
InChIInChI=1S/C12H24/c1-10-5-7-11(8-6-10)9-12(2,3)4/h10-11H,5-9H2,1-4H3/i9D2
InChIKeySGQSKMYIFPZBKX-KNXIQCGSSA-N
MW170.34 g/mol
LogP4.25
Rot. Bonds1

About 1-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylcyclohexane

1-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylcyclohexane (PubChem CID 165161493) has the molecular formula C12H24 and a molecular weight of 170.34 g/mol. Its IUPAC name is 1-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylcyclohexane
PubChem CID165161493
Molecular FormulaC12H24
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name1-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylcyclohexane
SMILES[2H]C([2H])(C1CCC(C)CC1)C(C)(C)C
InChIInChI=1S/C12H24/c1-10-5-7-11(8-6-10)9-12(2,3)4/h10-11H,5-9H2,1-4H3/i9D2
InChIKeySGQSKMYIFPZBKX-KNXIQCGSSA-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 ≤ 500170.34
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
2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine
CID 63001387
1-(3-chloropropyl)-4-methylcyclohexane
CID 64775932
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 161317011
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211
ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 143714212
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 163450163
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
CID 20632302
CID 20632302
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 160612898
CID 59448677
CID 59448677

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylcyclohexane?
The IUPAC name of 1-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylcyclohexane (CID 165161493) is 1-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylcyclohexane.
What is the SMILES notation for 1-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylcyclohexane?
The canonical SMILES for 1-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylcyclohexane is [2H]C([2H])(C1CCC(C)CC1)C(C)(C)C.
What is the InChIKey of 1-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylcyclohexane?
The InChIKey is SGQSKMYIFPZBKX-KNXIQCGSSA-N. The full InChI is InChI=1S/C12H24/c1-10-5-7-11(8-6-10)9-12(2,3)4/h10-11H,5-9H2,1-4H3/i9D2.
What are the key properties of 1-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylcyclohexane?
1-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylcyclohexane has a molecular weight of 170.34 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 1-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylcyclohexane is sourced from PubChem (CID 165161493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).