1-(4-butyloctyl)-3-methylcyclopentane

C18H36 — CID 123934919

IUPAC1-(4-butyloctyl)-3-methylcyclopentane
SMILESCCCCC(CCCC)CCCC1CCC(C)C1
InChIInChI=1S/C18H36/c1-4-6-9-17(10-7-5-2)11-8-12-18-14-13-16(3)15-18/h16-18H,4-15H2,1-3H3
InChIKeyXMMJXPDJUFFMHN-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.59
Rot. Bonds10

About 1-(4-butyloctyl)-3-methylcyclopentane

1-(4-butyloctyl)-3-methylcyclopentane (PubChem CID 123934919) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 1-(4-butyloctyl)-3-methylcyclopentane.

Molecular Properties

Compound Name1-(4-butyloctyl)-3-methylcyclopentane
PubChem CID123934919
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name1-(4-butyloctyl)-3-methylcyclopentane
SMILESCCCCC(CCCC)CCCC1CCC(C)C1
InChIInChI=1S/C18H36/c1-4-6-9-17(10-7-5-2)11-8-12-18-14-13-16(3)15-18/h16-18H,4-15H2,1-3H3
InChIKeyXMMJXPDJUFFMHN-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(1-butyl-3-methylcyclopentane);carbanide;zirconium(4+)
CID 23232814
bis(1-butyl-3-methylcyclopentane);carbanide;dichlorozirconium(2+);molecular hydrogen
CID 162291170
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
butylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+)
CID 162291172
1-(3-butylheptyl)-6-methylcyclodecane
CID 135036007
(1S)-1-methyl-3-(3-methylbutyl)cyclopentane
CID 148998562
1-methyl-3-octadecylcyclohexane
CID 175465709
1-methyl-3-octylcyclohexane
CID 54298070
3-butyl-N,6-dimethylcycloheptan-1-amine
CID 170365607
1-hexyl-3,9-dimethylcyclononadecane
CID 59972329
4,4-difluoro-1-(3-methylcyclopentyl)octan-3-ol
CID 129228274
(7-methyl-3-propylundecyl)cyclopropane
CID 123743915

Frequently Asked Questions

What is the IUPAC name of 1-(4-butyloctyl)-3-methylcyclopentane?
The IUPAC name of 1-(4-butyloctyl)-3-methylcyclopentane (CID 123934919) is 1-(4-butyloctyl)-3-methylcyclopentane.
What is the SMILES notation for 1-(4-butyloctyl)-3-methylcyclopentane?
The canonical SMILES for 1-(4-butyloctyl)-3-methylcyclopentane is CCCCC(CCCC)CCCC1CCC(C)C1.
What is the InChIKey of 1-(4-butyloctyl)-3-methylcyclopentane?
The InChIKey is XMMJXPDJUFFMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-4-6-9-17(10-7-5-2)11-8-12-18-14-13-16(3)15-18/h16-18H,4-15H2,1-3H3.
What are the key properties of 1-(4-butyloctyl)-3-methylcyclopentane?
1-(4-butyloctyl)-3-methylcyclopentane has a molecular weight of 252.49 g/mol, XLogP of 6.59, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butyloctyl)-3-methylcyclopentane is sourced from PubChem (CID 123934919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).