1-tert-butyl-2,3-dimethylcyclobutane;ethane;hexane;methylcyclobutane

C23H50 — CID 142057543

IUPAC1-tert-butyl-2,3-dimethylcyclobutane;ethane;hexane;methylcyclobutane
SMILESCC.CC1CC(C(C)(C)C)C1C.CC1CCC1.CCCCCC
InChIInChI=1S/C10H20.C6H14.C5H10.C2H6/c1-7-6-9(8(7)2)10(3,4)5;1-3-5-6-4-2;1-5-3-2-4-5;1-2/h7-9H,6H2,1-5H3;3-6H2,1-2H3;5H,2-4H2,1H3;1-2H3
InChIKeyKBYPHEHZLLBUQK-UHFFFAOYSA-N
MW326.65 g/mol
LogP8.74
Rot. Bonds3

About 1-tert-butyl-2,3-dimethylcyclobutane;ethane;hexane;methylcyclobutane

1-tert-butyl-2,3-dimethylcyclobutane;ethane;hexane;methylcyclobutane (PubChem CID 142057543) has the molecular formula C23H50 and a molecular weight of 326.65 g/mol. Its IUPAC name is 1-tert-butyl-2,3-dimethylcyclobutane;ethane;hexane;methylcyclobutane.

Molecular Properties

Compound Name1-tert-butyl-2,3-dimethylcyclobutane;ethane;hexane;methylcyclobutane
PubChem CID142057543
Molecular FormulaC23H50
Molecular Weight326.65 g/mol
Exact Mass326.39
IUPAC Name1-tert-butyl-2,3-dimethylcyclobutane;ethane;hexane;methylcyclobutane
SMILESCC.CC1CC(C(C)(C)C)C1C.CC1CCC1.CCCCCC
InChIInChI=1S/C10H20.C6H14.C5H10.C2H6/c1-7-6-9(8(7)2)10(3,4)5;1-3-5-6-4-2;1-5-3-2-4-5;1-2/h7-9H,6H2,1-5H3;3-6H2,1-2H3;5H,2-4H2,1H3;1-2H3
InChIKeyKBYPHEHZLLBUQK-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.65
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

heptane;methoxymethane;methylcyclobutane
CID 168881474
ethane;tris(methylcyclohexane);octane
CID 142912940
butane;bis(hexane);bis(methylcyclopentane)
CID 162195101
1-methyl-4-pentylcycloheptane
CID 123318058
ethane;methylcyclobutane;N-methylpentan-1-amine
CID 166078037
1-methyl-3-octadecylcyclohexane
CID 175465709
1-methyl-3-octylcyclohexane
CID 54298070
1-tert-butyl-3-methylcyclohexane;propane
CID 177337386
1,3-ditert-butyl-2-methyl-5-propylcyclohexane
CID 158500744
2-tert-butyl-N-octylcyclohexan-1-amine
CID 60663873
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
(1R)-1-tert-butyl-2-methylcyclopentane
CID 59875251

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3-dimethylcyclobutane;ethane;hexane;methylcyclobutane?
The IUPAC name of 1-tert-butyl-2,3-dimethylcyclobutane;ethane;hexane;methylcyclobutane (CID 142057543) is 1-tert-butyl-2,3-dimethylcyclobutane;ethane;hexane;methylcyclobutane.
What is the SMILES notation for 1-tert-butyl-2,3-dimethylcyclobutane;ethane;hexane;methylcyclobutane?
The canonical SMILES for 1-tert-butyl-2,3-dimethylcyclobutane;ethane;hexane;methylcyclobutane is CC.CC1CC(C(C)(C)C)C1C.CC1CCC1.CCCCCC.
What is the InChIKey of 1-tert-butyl-2,3-dimethylcyclobutane;ethane;hexane;methylcyclobutane?
The InChIKey is KBYPHEHZLLBUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C6H14.C5H10.C2H6/c1-7-6-9(8(7)2)10(3,4)5;1-3-5-6-4-2;1-5-3-2-4-5;1-2/h7-9H,6H2,1-5H3;3-6H2,1-2H3;5H,2-4H2,1H3;1-2H3.
What are the key properties of 1-tert-butyl-2,3-dimethylcyclobutane;ethane;hexane;methylcyclobutane?
1-tert-butyl-2,3-dimethylcyclobutane;ethane;hexane;methylcyclobutane has a molecular weight of 326.65 g/mol, XLogP of 8.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3-dimethylcyclobutane;ethane;hexane;methylcyclobutane is sourced from PubChem (CID 142057543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).