1-butan-2-yl-1-methylcyclobutane;ethane

C11H24 — CID 167444741

IUPAC1-butan-2-yl-1-methylcyclobutane;ethane
SMILESCC.CCC(C)C1(C)CCC1
InChIInChI=1S/C9H18.C2H6/c1-4-8(2)9(3)6-5-7-9;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyHOJCCHDYYGZXIW-UHFFFAOYSA-N
MW156.31 g/mol
LogP4.25
Rot. Bonds2

About 1-butan-2-yl-1-methylcyclobutane;ethane

1-butan-2-yl-1-methylcyclobutane;ethane (PubChem CID 167444741) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is 1-butan-2-yl-1-methylcyclobutane;ethane.

Molecular Properties

Compound Name1-butan-2-yl-1-methylcyclobutane;ethane
PubChem CID167444741
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Name1-butan-2-yl-1-methylcyclobutane;ethane
SMILESCC.CCC(C)C1(C)CCC1
InChIInChI=1S/C9H18.C2H6/c1-4-8(2)9(3)6-5-7-9;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyHOJCCHDYYGZXIW-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butan-2-yl-1-methylcyclobutane;ethane;octanenitrile
CID 143325289
1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane
CID 123463743
1-methyl-1-pentan-2-ylcyclopropane
CID 57204658
iron(3+);tris(1-(1-methylcycloheptyl)propan-1-olate)
CID 69456430
1-hexan-3-yl-1-methylcyclobutane
CID 91314067
1,1-di(butan-2-yl)cycloheptane
CID 91149690
1-(1-methylcyclopentyl)propan-1-amine
CID 114979259
buta-1,3-dien-2-ol;1-butan-2-yl-1,2,2-trimethylcyclopentane;ethane
CID 143365281
1-butan-2-ylcyclohexane-1-thiol
CID 19850363
N,2-dimethyl-1-(1-methylcyclopentyl)butan-1-amine
CID 105017597
2-butan-2-yl-1,2-dimethylpyrrolidine
CID 89025090
2-butan-2-yl-2-propan-2-ylpyrrolidine
CID 79444154

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-1-methylcyclobutane;ethane?
The IUPAC name of 1-butan-2-yl-1-methylcyclobutane;ethane (CID 167444741) is 1-butan-2-yl-1-methylcyclobutane;ethane.
What is the SMILES notation for 1-butan-2-yl-1-methylcyclobutane;ethane?
The canonical SMILES for 1-butan-2-yl-1-methylcyclobutane;ethane is CC.CCC(C)C1(C)CCC1.
What is the InChIKey of 1-butan-2-yl-1-methylcyclobutane;ethane?
The InChIKey is HOJCCHDYYGZXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C2H6/c1-4-8(2)9(3)6-5-7-9;1-2/h8H,4-7H2,1-3H3;1-2H3.
What are the key properties of 1-butan-2-yl-1-methylcyclobutane;ethane?
1-butan-2-yl-1-methylcyclobutane;ethane has a molecular weight of 156.31 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-1-methylcyclobutane;ethane is sourced from PubChem (CID 167444741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).