1-butyl-1,3-dimethylcyclopentane

C11H22 — CID 123273889

IUPAC1-butyl-1,3-dimethylcyclopentane
SMILESCCCCC1(C)CCC(C)C1
InChIInChI=1S/C11H22/c1-4-5-7-11(3)8-6-10(2)9-11/h10H,4-9H2,1-3H3
InChIKeyQWQPWXOHOXNHPY-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.00
Rot. Bonds3

About 1-butyl-1,3-dimethylcyclopentane

1-butyl-1,3-dimethylcyclopentane (PubChem CID 123273889) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1-butyl-1,3-dimethylcyclopentane.

Molecular Properties

Compound Name1-butyl-1,3-dimethylcyclopentane
PubChem CID123273889
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1-butyl-1,3-dimethylcyclopentane
SMILESCCCCC1(C)CCC(C)C1
InChIInChI=1S/C11H22/c1-4-5-7-11(3)8-6-10(2)9-11/h10H,4-9H2,1-3H3
InChIKeyQWQPWXOHOXNHPY-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3,7-trimethyl-1-propylcyclononane
CID 123829205
1,3-dimethyl-1-pentylcyclobutane;ethane
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1,3-dimethyl-1-(3-methylbutyl)cyclopentane
CID 91534929
(3S,3aS)-6-butyl-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-1-benzofuran
CID 156623896
1,1-dibutyl-4-methylcyclohexane
CID 147112544
N-[[(1S)-1,3-dimethylcyclopentyl]methyl]-N-methylpropan-1-amine
CID 138507678
(3R,3aS,6S)-6-butyl-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one
CID 156623899
3-butyl-3-methylcyclobutan-1-ol
CID 123195778
5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
CID 155675581
1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane
CID 18597169
(3S)-1-ethyl-1,3-dimethylcyclohexane
CID 145106781
1-methyl-1-pentylcyclopropane
CID 524644

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1,3-dimethylcyclopentane?
The IUPAC name of 1-butyl-1,3-dimethylcyclopentane (CID 123273889) is 1-butyl-1,3-dimethylcyclopentane.
What is the SMILES notation for 1-butyl-1,3-dimethylcyclopentane?
The canonical SMILES for 1-butyl-1,3-dimethylcyclopentane is CCCCC1(C)CCC(C)C1.
What is the InChIKey of 1-butyl-1,3-dimethylcyclopentane?
The InChIKey is QWQPWXOHOXNHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-4-5-7-11(3)8-6-10(2)9-11/h10H,4-9H2,1-3H3.
What are the key properties of 1-butyl-1,3-dimethylcyclopentane?
1-butyl-1,3-dimethylcyclopentane has a molecular weight of 154.30 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1,3-dimethylcyclopentane is sourced from PubChem (CID 123273889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).