4-butyl-8-methyl-1-propylbicyclo[8.1.0]undecane

C19H36 — CID 91241512

IUPAC4-butyl-8-methyl-1-propylbicyclo[8.1.0]undecane
SMILESCCCCC1CCCC(C)CC2CC2(CCC)CC1
InChIInChI=1S/C19H36/c1-4-6-9-17-10-7-8-16(3)14-18-15-19(18,12-5-2)13-11-17/h16-18H,4-15H2,1-3H3
InChIKeyMDKRFCLHDNJKPP-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.59
Rot. Bonds5

About 4-butyl-8-methyl-1-propylbicyclo[8.1.0]undecane

4-butyl-8-methyl-1-propylbicyclo[8.1.0]undecane (PubChem CID 91241512) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 4-butyl-8-methyl-1-propylbicyclo[8.1.0]undecane.

Molecular Properties

Compound Name4-butyl-8-methyl-1-propylbicyclo[8.1.0]undecane
PubChem CID91241512
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name4-butyl-8-methyl-1-propylbicyclo[8.1.0]undecane
SMILESCCCCC1CCCC(C)CC2CC2(CCC)CC1
InChIInChI=1S/C19H36/c1-4-6-9-17-10-7-8-16(3)14-18-15-19(18,12-5-2)13-11-17/h16-18H,4-15H2,1-3H3
InChIKeyMDKRFCLHDNJKPP-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-octadecylcyclohexane
CID 175465709
1-methyl-3-octylcyclohexane
CID 54298070
1-methyl-4-pentylcycloheptane
CID 123318058
1-butyl-4-methylcyclooctane
CID 123623113
1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen
CID 158750937
1-hexyl-3,9-dimethylcyclononadecane
CID 59972329
(4-butyl-1-cycloheptylcyclohexyl)methanamine
CID 82933672
1,3-dipentylcyclohexane
CID 54105663
butylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+)
CID 162291172
1,3-diheptylcyclohexane
CID 19973333
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859

Frequently Asked Questions

What is the IUPAC name of 4-butyl-8-methyl-1-propylbicyclo[8.1.0]undecane?
The IUPAC name of 4-butyl-8-methyl-1-propylbicyclo[8.1.0]undecane (CID 91241512) is 4-butyl-8-methyl-1-propylbicyclo[8.1.0]undecane.
What is the SMILES notation for 4-butyl-8-methyl-1-propylbicyclo[8.1.0]undecane?
The canonical SMILES for 4-butyl-8-methyl-1-propylbicyclo[8.1.0]undecane is CCCCC1CCCC(C)CC2CC2(CCC)CC1.
What is the InChIKey of 4-butyl-8-methyl-1-propylbicyclo[8.1.0]undecane?
The InChIKey is MDKRFCLHDNJKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-4-6-9-17-10-7-8-16(3)14-18-15-19(18,12-5-2)13-11-17/h16-18H,4-15H2,1-3H3.
What are the key properties of 4-butyl-8-methyl-1-propylbicyclo[8.1.0]undecane?
4-butyl-8-methyl-1-propylbicyclo[8.1.0]undecane has a molecular weight of 264.50 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-8-methyl-1-propylbicyclo[8.1.0]undecane is sourced from PubChem (CID 91241512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).