2-deuteriopropan-2-ylcyclohexane

C9H18 — CID 153320252

IUPAC2-deuteriopropan-2-ylcyclohexane
SMILES[2H]C(C)(C)C1CCCCC1
InChIInChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3/i8D
InChIKeyGWESVXSMPKAFAS-BNEYPBHNSA-N
MW127.25 g/mol
LogP3.22
Rot. Bonds1

About 2-deuteriopropan-2-ylcyclohexane

2-deuteriopropan-2-ylcyclohexane (PubChem CID 153320252) has the molecular formula C9H18 and a molecular weight of 127.25 g/mol. Its IUPAC name is 2-deuteriopropan-2-ylcyclohexane.

Molecular Properties

Compound Name2-deuteriopropan-2-ylcyclohexane
PubChem CID153320252
Molecular FormulaC9H18
Molecular Weight127.25 g/mol
Exact Mass127.15
IUPAC Name2-deuteriopropan-2-ylcyclohexane
SMILES[2H]C(C)(C)C1CCCCC1
InChIInChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3/i8D
InChIKeyGWESVXSMPKAFAS-BNEYPBHNSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-deuteriopropan-2-ylcyclopropane
CID 164822454
methane;propan-2-ylcyclotetradecane
CID 159882779
1-cyclopentylethylcyclohexane
CID 57034702
(1R)-1-cyclopentyl-1-deuterioethanol
CID 157323248
ethane;methane;propan-2-ylcyclohexane
CID 169430642
1-chloroethylcyclododecane
CID 66468842
1-bromoethylcyclododecane
CID 66471074
(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane
CID 123633331
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
benzene;propan-2-ylcyclohexane
CID 163364158
[(2R)-3-methylbutan-2-yl]cyclopentane
CID 59954478
carbanide;iron(2+);bis(propan-2-ylcyclopentane)
CID 162282173

Frequently Asked Questions

What is the IUPAC name of 2-deuteriopropan-2-ylcyclohexane?
The IUPAC name of 2-deuteriopropan-2-ylcyclohexane (CID 153320252) is 2-deuteriopropan-2-ylcyclohexane.
What is the SMILES notation for 2-deuteriopropan-2-ylcyclohexane?
The canonical SMILES for 2-deuteriopropan-2-ylcyclohexane is [2H]C(C)(C)C1CCCCC1.
What is the InChIKey of 2-deuteriopropan-2-ylcyclohexane?
The InChIKey is GWESVXSMPKAFAS-BNEYPBHNSA-N. The full InChI is InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3/i8D.
What are the key properties of 2-deuteriopropan-2-ylcyclohexane?
2-deuteriopropan-2-ylcyclohexane has a molecular weight of 127.25 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuteriopropan-2-ylcyclohexane is sourced from PubChem (CID 153320252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).