1-butan-2-yl-1-methyl-2-propan-2-ylcyclopentane

C13H26 — CID 177219005

IUPAC1-butan-2-yl-1-methyl-2-propan-2-ylcyclopentane
SMILESCCC(C)C1(C)CCCC1C(C)C
InChIInChI=1S/C13H26/c1-6-11(4)13(5)9-7-8-12(13)10(2)3/h10-12H,6-9H2,1-5H3
InChIKeySNTNJTDXCDBUPG-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds3

About 1-butan-2-yl-1-methyl-2-propan-2-ylcyclopentane

1-butan-2-yl-1-methyl-2-propan-2-ylcyclopentane (PubChem CID 177219005) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-butan-2-yl-1-methyl-2-propan-2-ylcyclopentane.

Molecular Properties

Compound Name1-butan-2-yl-1-methyl-2-propan-2-ylcyclopentane
PubChem CID177219005
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-butan-2-yl-1-methyl-2-propan-2-ylcyclopentane
SMILESCCC(C)C1(C)CCCC1C(C)C
InChIInChI=1S/C13H26/c1-6-11(4)13(5)9-7-8-12(13)10(2)3/h10-12H,6-9H2,1-5H3
InChIKeySNTNJTDXCDBUPG-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810
cis-(1R,2R)-1-methyl-2-propan-2-ylcyclopentan-1-ol
CID 158874958
1-butan-2-yl-1-methyl-2-(6-methylheptan-3-yl)cyclobutane
CID 123172100
7-propan-2-ylspiro[2.4]heptane
CID 154526076
1-butan-2-yl-1-methylcyclobutane;ethane
CID 167444741
1,1-diethyl-2-(2-methylpentan-3-yl)cyclopentane
CID 123728511
(2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane
CID 59033980
diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate
CID 15550872
1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol
CID 79444321
1-methyl-2-propan-2-yl-1-propylcyclobutane
CID 123382647
8-propan-2-yl-4-oxaspiro[2.5]octane
CID 176797220
9-propan-2-ylspiro[3.5]nonane
CID 140652255

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-1-methyl-2-propan-2-ylcyclopentane?
The IUPAC name of 1-butan-2-yl-1-methyl-2-propan-2-ylcyclopentane (CID 177219005) is 1-butan-2-yl-1-methyl-2-propan-2-ylcyclopentane.
What is the SMILES notation for 1-butan-2-yl-1-methyl-2-propan-2-ylcyclopentane?
The canonical SMILES for 1-butan-2-yl-1-methyl-2-propan-2-ylcyclopentane is CCC(C)C1(C)CCCC1C(C)C.
What is the InChIKey of 1-butan-2-yl-1-methyl-2-propan-2-ylcyclopentane?
The InChIKey is SNTNJTDXCDBUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-11(4)13(5)9-7-8-12(13)10(2)3/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-butan-2-yl-1-methyl-2-propan-2-ylcyclopentane?
1-butan-2-yl-1-methyl-2-propan-2-ylcyclopentane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 3 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-methyl-2-propan-2-ylcyclopentane is sourced from PubChem (CID 177219005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).