1-tert-butyl-3-methylcyclobutane;ethane;propane

C16H38 — CID 143337581

IUPAC1-tert-butyl-3-methylcyclobutane;ethane;propane
SMILESCC.CC.CC1CC(C(C)(C)C)C1.CCC
InChIInChI=1S/C9H18.C3H8.2C2H6/c1-7-5-8(6-7)9(2,3)4;1-3-2;2*1-2/h7-8H,5-6H2,1-4H3;3H2,1-2H3;2*1-2H3
InChIKeyWSBMXUCNTBMYKE-UHFFFAOYSA-N
MW230.48 g/mol
LogP6.55
Rot. Bonds

About 1-tert-butyl-3-methylcyclobutane;ethane;propane

1-tert-butyl-3-methylcyclobutane;ethane;propane (PubChem CID 143337581) has the molecular formula C16H38 and a molecular weight of 230.48 g/mol. Its IUPAC name is 1-tert-butyl-3-methylcyclobutane;ethane;propane.

Molecular Properties

Compound Name1-tert-butyl-3-methylcyclobutane;ethane;propane
PubChem CID143337581
Molecular FormulaC16H38
Molecular Weight230.48 g/mol
Exact Mass230.30
IUPAC Name1-tert-butyl-3-methylcyclobutane;ethane;propane
SMILESCC.CC.CC1CC(C(C)(C)C)C1.CCC
InChIInChI=1S/C9H18.C3H8.2C2H6/c1-7-5-8(6-7)9(2,3)4;1-3-2;2*1-2/h7-8H,5-6H2,1-4H3;3H2,1-2H3;2*1-2H3
InChIKeyWSBMXUCNTBMYKE-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.48
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-3-methylcyclohexane;propane
CID 177337386
3-tert-butyl-1,1-difluorocyclobutane;1-fluoro-3-methylcyclobutane;propane
CID 161305433
1-tert-butyl-4-methylcyclohexane;methane;propane
CID 143180691
cis-(1R,3S)-3-tert-butyl-5-methylcyclohexane-1-carbonitrile
CID 158711035
1,3-ditert-butyl-5-ethylcyclohexane
CID 123167626
1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane
CID 59391818
3-tert-butyl-5-methylpiperidine
CID 106778919
1,3-ditert-butylcyclopentane;ethane
CID 161179598
(1R,5S)-3-tert-butylbicyclo[3.1.0]hexane
CID 172509136
1-tert-butyl-4-methylcyclohexane;ethane;methane
CID 143180692
2-(3,5-dimethylcyclohexyl)-2-methylbutanenitrile
CID 126977224
(5R)-3-tert-butyl-1,1,5-trimethylcyclohexane
CID 59984592

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylcyclobutane;ethane;propane?
The IUPAC name of 1-tert-butyl-3-methylcyclobutane;ethane;propane (CID 143337581) is 1-tert-butyl-3-methylcyclobutane;ethane;propane.
What is the SMILES notation for 1-tert-butyl-3-methylcyclobutane;ethane;propane?
The canonical SMILES for 1-tert-butyl-3-methylcyclobutane;ethane;propane is CC.CC.CC1CC(C(C)(C)C)C1.CCC.
What is the InChIKey of 1-tert-butyl-3-methylcyclobutane;ethane;propane?
The InChIKey is WSBMXUCNTBMYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C3H8.2C2H6/c1-7-5-8(6-7)9(2,3)4;1-3-2;2*1-2/h7-8H,5-6H2,1-4H3;3H2,1-2H3;2*1-2H3.
What are the key properties of 1-tert-butyl-3-methylcyclobutane;ethane;propane?
1-tert-butyl-3-methylcyclobutane;ethane;propane has a molecular weight of 230.48 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-tert-butyl-3-methylcyclobutane;ethane;propane is sourced from PubChem (CID 143337581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).