1-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene

C19H44 — CID 144517503

IUPAC1-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene
SMILESC=C.CC.CC.CC.CCC(C)C1CCC(C)C1C
InChIInChI=1S/C11H22.3C2H6.C2H4/c1-5-8(2)11-7-6-9(3)10(11)4;4*1-2/h8-11H,5-7H2,1-4H3;3*1-2H3;1-2H2
InChIKeyQABUXNUJJLHHAJ-UHFFFAOYSA-N
MW272.56 g/mol
LogP7.60
Rot. Bonds2

About 1-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene

1-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene (PubChem CID 144517503) has the molecular formula C19H44 and a molecular weight of 272.56 g/mol. Its IUPAC name is 1-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene.

Molecular Properties

Compound Name1-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene
PubChem CID144517503
Molecular FormulaC19H44
Molecular Weight272.56 g/mol
Exact Mass272.34
IUPAC Name1-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene
SMILESC=C.CC.CC.CC.CCC(C)C1CCC(C)C1C
InChIInChI=1S/C11H22.3C2H6.C2H4/c1-5-8(2)11-7-6-9(3)10(11)4;4*1-2/h8-11H,5-7H2,1-4H3;3*1-2H3;1-2H2
InChIKeyQABUXNUJJLHHAJ-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.56
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 58534554
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CID 123804533
1,2-dimethyl-3-propan-2-ylcyclopentane
CID 544190
2-butan-2-yl-1,3-dimethylcyclopentane
CID 90760041
1-butan-2-yl-3,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 123302694
1-butan-2-yl-2-ethylcyclobutane
CID 91142944
1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane
CID 90723847
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 142957322
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952
2-butan-2-ylcyclobutane-1-carboxylic acid
CID 81008114
1,2-dimethylcyclobutane;2-methylpropane
CID 143728444
4-butan-2-yl-1,6-dimethyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene-7,9-diol
CID 134345909

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene?
The IUPAC name of 1-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene (CID 144517503) is 1-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene.
What is the SMILES notation for 1-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene?
The canonical SMILES for 1-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene is C=C.CC.CC.CC.CCC(C)C1CCC(C)C1C.
What is the InChIKey of 1-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene?
The InChIKey is QABUXNUJJLHHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.3C2H6.C2H4/c1-5-8(2)11-7-6-9(3)10(11)4;4*1-2/h8-11H,5-7H2,1-4H3;3*1-2H3;1-2H2.
What are the key properties of 1-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene?
1-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene has a molecular weight of 272.56 g/mol, XLogP of 7.60, 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-2,3-dimethylcyclopentane;ethane;ethene is sourced from PubChem (CID 144517503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).