3-tert-butyl-2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-ylcyclopentane

C27H56 — CID 159588674

IUPAC3-tert-butyl-2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-ylcyclopentane
SMILESCC(C)(C)C(C(C)(C)C)C(C)(C)C.CC(C)(C)C(C1CCCC1)C(C)(C)C
InChIInChI=1S/C14H28.C13H28/c1-13(2,3)12(14(4,5)6)11-9-7-8-10-11;1-11(2,3)10(12(4,5)6)13(7,8)9/h11-12H,7-10H2,1-6H3;10H,1-9H3
InChIKeyMJYLTERMOCQPCZ-UHFFFAOYSA-N
MW380.75 g/mol
LogP9.63
Rot. Bonds1

About 3-tert-butyl-2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-ylcyclopentane

3-tert-butyl-2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-ylcyclopentane (PubChem CID 159588674) has the molecular formula C27H56 and a molecular weight of 380.75 g/mol. Its IUPAC name is 3-tert-butyl-2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-ylcyclopentane.

Molecular Properties

Compound Name3-tert-butyl-2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-ylcyclopentane
PubChem CID159588674
Molecular FormulaC27H56
Molecular Weight380.75 g/mol
Exact Mass380.44
IUPAC Name3-tert-butyl-2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-ylcyclopentane
SMILESCC(C)(C)C(C(C)(C)C)C(C)(C)C.CC(C)(C)C(C1CCCC1)C(C)(C)C
InChIInChI=1S/C14H28.C13H28/c1-13(2,3)12(14(4,5)6)11-9-7-8-10-11;1-11(2,3)10(12(4,5)6)13(7,8)9/h11-12H,7-10H2,1-6H3;10H,1-9H3
InChIKeyMJYLTERMOCQPCZ-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.75
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane
CID 546182
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
[(2R)-3-methylbutan-2-yl]cyclopentane
CID 59954478
1-cyclohexyl-3,3-dimethylbutane-1,2-diamine
CID 85238914
1-cyclopentyl-3,3-dimethylbutane-2-thiol
CID 145173372
3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine
CID 146228066
1-tert-butyl-3-(difluoromethyl)piperidine
CID 176615633
1-cyclohexyl-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046048
(1-chloro-3,3-dimethylbutan-2-yl)cycloheptane
CID 83142657
(1,3,3,3-tetrafluoro-2,2-dimethylpropyl)cyclohexane
CID 70821112
5-(2,2,4,4-tetramethylpentan-3-yl)spiro[2.3]hexane
CID 176752181
1,1-dicyclohexylpropane-2,2-diol
CID 141350052

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-ylcyclopentane?
The IUPAC name of 3-tert-butyl-2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-ylcyclopentane (CID 159588674) is 3-tert-butyl-2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-ylcyclopentane.
What is the SMILES notation for 3-tert-butyl-2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-ylcyclopentane?
The canonical SMILES for 3-tert-butyl-2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-ylcyclopentane is CC(C)(C)C(C(C)(C)C)C(C)(C)C.CC(C)(C)C(C1CCCC1)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-ylcyclopentane?
The InChIKey is MJYLTERMOCQPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28.C13H28/c1-13(2,3)12(14(4,5)6)11-9-7-8-10-11;1-11(2,3)10(12(4,5)6)13(7,8)9/h11-12H,7-10H2,1-6H3;10H,1-9H3.
What are the key properties of 3-tert-butyl-2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-ylcyclopentane?
3-tert-butyl-2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-ylcyclopentane has a molecular weight of 380.75 g/mol, XLogP of 9.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-ylcyclopentane is sourced from PubChem (CID 159588674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).