1-tert-butyl-1-deuteriocyclopentane

C9H18 — CID 140770712

IUPAC1-tert-butyl-1-deuteriocyclopentane
SMILES[2H]C1(C(C)(C)C)CCCC1
InChIInChI=1S/C9H18/c1-9(2,3)8-6-4-5-7-8/h8H,4-7H2,1-3H3/i8D
InChIKeyBFWVYBVSRYIDHI-BNEYPBHNSA-N
MW127.25 g/mol
LogP3.22
Rot. Bonds

About 1-tert-butyl-1-deuteriocyclopentane

1-tert-butyl-1-deuteriocyclopentane (PubChem CID 140770712) has the molecular formula C9H18 and a molecular weight of 127.25 g/mol. Its IUPAC name is 1-tert-butyl-1-deuteriocyclopentane.

Molecular Properties

Compound Name1-tert-butyl-1-deuteriocyclopentane
PubChem CID140770712
Molecular FormulaC9H18
Molecular Weight127.25 g/mol
Exact Mass127.15
IUPAC Name1-tert-butyl-1-deuteriocyclopentane
SMILES[2H]C1(C(C)(C)C)CCCC1
InChIInChI=1S/C9H18/c1-9(2,3)8-6-4-5-7-8/h8H,4-7H2,1-3H3/i8D
InChIKeyBFWVYBVSRYIDHI-BNEYPBHNSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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

1-tert-butyl-1-deuteriocyclopropane
CID 12714131
tert-butylcyclopentadecane
CID 164774831
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
cis-(1R,2R)-2-tert-butylcyclohexan-1-ol
CID 6995536
trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane
CID 102398260
1,4-ditert-butylcycloheptane
CID 58579546
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane
CID 160918064
[(1S,2S)-2-tert-butylcyclohexyl]azanium
CID 7740789
2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59655988
2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 139609797
9-tert-butylbicyclo[3.3.1]nonane
CID 59813982

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-deuteriocyclopentane?
The IUPAC name of 1-tert-butyl-1-deuteriocyclopentane (CID 140770712) is 1-tert-butyl-1-deuteriocyclopentane.
What is the SMILES notation for 1-tert-butyl-1-deuteriocyclopentane?
The canonical SMILES for 1-tert-butyl-1-deuteriocyclopentane is [2H]C1(C(C)(C)C)CCCC1.
What is the InChIKey of 1-tert-butyl-1-deuteriocyclopentane?
The InChIKey is BFWVYBVSRYIDHI-BNEYPBHNSA-N. The full InChI is InChI=1S/C9H18/c1-9(2,3)8-6-4-5-7-8/h8H,4-7H2,1-3H3/i8D.
What are the key properties of 1-tert-butyl-1-deuteriocyclopentane?
1-tert-butyl-1-deuteriocyclopentane has a molecular weight of 127.25 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-deuteriocyclopentane is sourced from PubChem (CID 140770712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).