1,3-ditert-butylcyclopentane;ethane

C17H38 — CID 161179598

IUPAC1,3-ditert-butylcyclopentane;ethane
SMILESCC.CC.CC(C)(C)C1CCC(C(C)(C)C)C1
InChIInChI=1S/C13H26.2C2H6/c1-12(2,3)10-7-8-11(9-10)13(4,5)6;2*1-2/h10-11H,7-9H2,1-6H3;2*1-2H3
InChIKeyUSGPKMGTJKCRHE-UHFFFAOYSA-N
MW242.49 g/mol
LogP6.55
Rot. Bonds

About 1,3-ditert-butylcyclopentane;ethane

1,3-ditert-butylcyclopentane;ethane (PubChem CID 161179598) has the molecular formula C17H38 and a molecular weight of 242.49 g/mol. Its IUPAC name is 1,3-ditert-butylcyclopentane;ethane.

Molecular Properties

Compound Name1,3-ditert-butylcyclopentane;ethane
PubChem CID161179598
Molecular FormulaC17H38
Molecular Weight242.49 g/mol
Exact Mass242.30
IUPAC Name1,3-ditert-butylcyclopentane;ethane
SMILESCC.CC.CC(C)(C)C1CCC(C(C)(C)C)C1
InChIInChI=1S/C13H26.2C2H6/c1-12(2,3)10-7-8-11(9-10)13(4,5)6;2*1-2/h10-11H,7-9H2,1-6H3;2*1-2H3
InChIKeyUSGPKMGTJKCRHE-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.49
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-ditert-butylcyclohexane;sulfane
CID 159387743
1,3-ditert-butylcyclobutane;1,4-ditert-butylcycloheptane;1,3-ditert-butylcyclohexane;1,4-ditert-butylcyclohexane;1,3-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
CID 159836238
cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945
2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 59716049
1,4-ditert-butylcycloheptane
CID 58579546
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
(1R,5S)-3-tert-butylbicyclo[3.1.0]hexane
CID 172509136
1-tert-butyl-4-methylcyclohexane;ethane;methane
CID 143180692
(1S)-3-tert-butylcyclopentane-1-carbaldehyde
CID 176741692
(1S,2S,4R)-1-bromo-4-tert-butyl-2-methylcyclohexane
CID 15169266
(1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol
CID 118263170
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane
CID 160918064

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butylcyclopentane;ethane?
The IUPAC name of 1,3-ditert-butylcyclopentane;ethane (CID 161179598) is 1,3-ditert-butylcyclopentane;ethane.
What is the SMILES notation for 1,3-ditert-butylcyclopentane;ethane?
The canonical SMILES for 1,3-ditert-butylcyclopentane;ethane is CC.CC.CC(C)(C)C1CCC(C(C)(C)C)C1.
What is the InChIKey of 1,3-ditert-butylcyclopentane;ethane?
The InChIKey is USGPKMGTJKCRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26.2C2H6/c1-12(2,3)10-7-8-11(9-10)13(4,5)6;2*1-2/h10-11H,7-9H2,1-6H3;2*1-2H3.
What are the key properties of 1,3-ditert-butylcyclopentane;ethane?
1,3-ditert-butylcyclopentane;ethane has a molecular weight of 242.49 g/mol, XLogP of 6.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butylcyclopentane;ethane is sourced from PubChem (CID 161179598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).