butan-2-ylcyclopentane;ethane

C13H30 — CID 143236269

IUPACbutan-2-ylcyclopentane;ethane
SMILESCC.CC.CCC(C)C1CCCC1
InChIInChI=1S/C9H18.2C2H6/c1-3-8(2)9-6-4-5-7-9;2*1-2/h8-9H,3-7H2,1-2H3;2*1-2H3
InChIKeyBUHFDBILBXJBEX-UHFFFAOYSA-N
MW186.38 g/mol
LogP5.28
Rot. Bonds2

About butan-2-ylcyclopentane;ethane

butan-2-ylcyclopentane;ethane (PubChem CID 143236269) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is butan-2-ylcyclopentane;ethane.

Molecular Properties

Compound Namebutan-2-ylcyclopentane;ethane
PubChem CID143236269
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Namebutan-2-ylcyclopentane;ethane
SMILESCC.CC.CCC(C)C1CCCC1
InChIInChI=1S/C9H18.2C2H6/c1-3-8(2)9-6-4-5-7-9;2*1-2/h8-9H,3-7H2,1-2H3;2*1-2H3
InChIKeyBUHFDBILBXJBEX-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butan-2-ylcyclohexane;ethane
CID 143005290
butan-2-ylcyclohexane;ethane;propane
CID 143477078
butan-2-ylcyclohexadecane
CID 123713671
butan-2-ylcyclohexane;heptane
CID 143477095
butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane
CID 177138438
4-[(2R)-butan-2-yl]piperidine;ethane
CID 142032949
ethane;pentan-2-ylcyclohexane
CID 143225886
1-butan-2-yl-4-methylcyclohexane
CID 20676481
1,5,9-tri(butan-2-yl)-phosphacyclododecane
CID 57175302
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 153382511
propane;propan-2-ylcyclopentane
CID 91615250
[(3R)-3-methylpentan-2-yl]cyclopentane
CID 144516432

Frequently Asked Questions

What is the IUPAC name of butan-2-ylcyclopentane;ethane?
The IUPAC name of butan-2-ylcyclopentane;ethane (CID 143236269) is butan-2-ylcyclopentane;ethane.
What is the SMILES notation for butan-2-ylcyclopentane;ethane?
The canonical SMILES for butan-2-ylcyclopentane;ethane is CC.CC.CCC(C)C1CCCC1.
What is the InChIKey of butan-2-ylcyclopentane;ethane?
The InChIKey is BUHFDBILBXJBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.2C2H6/c1-3-8(2)9-6-4-5-7-9;2*1-2/h8-9H,3-7H2,1-2H3;2*1-2H3.
What are the key properties of butan-2-ylcyclopentane;ethane?
butan-2-ylcyclopentane;ethane has a molecular weight of 186.38 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylcyclopentane;ethane is sourced from PubChem (CID 143236269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).