1-chloro-3-(2-methylpropyl)benzene;2,3-dimethylbutane;2,3-dimethylpentane;1-methyl-1-propan-2-ylcyclobutane;1-propan-2-ylbicyclo[1.1.1]pentane;propan-2-ylcyclobutane;2-propan-2-ylspiro[2.2]pentane;2,3,3-trimethylpentane

C62H119Cl — CID 159318864

IUPAC1-chloro-3-(2-methylpropyl)benzene;2,3-dimethylbutane;2,3-dimethylpentane;1-methyl-1-propan-2-ylcyclobutane;1-propan-2-ylbicyclo[1.1.1]pentane;propan-2-ylcyclobutane;2-propan-2-ylspiro[2.2]pentane;2,3,3-trimethylpentane
SMILESCC(C)C(C)C.CC(C)C1(C)CCC1.CC(C)C12CC(C1)C2.CC(C)C1CC12CC2.CC(C)C1CCC1.CC(C)Cc1cccc(Cl)c1.CCC(C)(C)C(C)C.CCC(C)C(C)C
InChIInChI=1S/C10H13Cl.2C8H14.C8H16.C8H18.C7H14.C7H16.C6H14/c1-8(2)6-9-4-3-5-10(11)7-9;1-6(2)8-3-7(4-8)5-8;1-6(2)7-5-8(7)3-4-8;1-7(2)8(3)5-4-6-8;1-6-8(4,5)7(2)3;1-6(2)7-4-3-5-7;1-5-7(4)6(2)3;1-5(2)6(3)4/h3-5,7-8H,6H2,1-2H3;2*6-7H,3-5H2,1-2H3;7H,4-6H2,1-3H3;7H,6H2,1-5H3;6-7H,3-5H2,1-2H3;6-7H,5H2,1-4H3;5-6H,1-4H3
InChIKeyLDMOKJXWKDBFSW-UHFFFAOYSA-N
MW900.09 g/mol
LogP21.76
Rot. Bonds11

About 1-chloro-3-(2-methylpropyl)benzene;2,3-dimethylbutane;2,3-dimethylpentane;1-methyl-1-propan-2-ylcyclobutane;1-propan-2-ylbicyclo[1.1.1]pentane;propan-2-ylcyclobutane;2-propan-2-ylspiro[2.2]pentane;2,3,3-trimethylpentane

1-chloro-3-(2-methylpropyl)benzene;2,3-dimethylbutane;2,3-dimethylpentane;1-methyl-1-propan-2-ylcyclobutane;1-propan-2-ylbicyclo[1.1.1]pentane;propan-2-ylcyclobutane;2-propan-2-ylspiro[2.2]pentane;2,3,3-trimethylpentane (PubChem CID 159318864) has the molecular formula C62H119Cl and a molecular weight of 900.09 g/mol. Its IUPAC name is 1-chloro-3-(2-methylpropyl)benzene;2,3-dimethylbutane;2,3-dimethylpentane;1-methyl-1-propan-2-ylcyclobutane;1-propan-2-ylbicyclo[1.1.1]pentane;propan-2-ylcyclobutane;2-propan-2-ylspiro[2.2]pentane;2,3,3-trimethylpentane.

Molecular Properties

Compound Name1-chloro-3-(2-methylpropyl)benzene;2,3-dimethylbutane;2,3-dimethylpentane;1-methyl-1-propan-2-ylcyclobutane;1-propan-2-ylbicyclo[1.1.1]pentane;propan-2-ylcyclobutane;2-propan-2-ylspiro[2.2]pentane;2,3,3-trimethylpentane
PubChem CID159318864
Molecular FormulaC62H119Cl
Molecular Weight900.09 g/mol
Exact Mass898.90
IUPAC Name1-chloro-3-(2-methylpropyl)benzene;2,3-dimethylbutane;2,3-dimethylpentane;1-methyl-1-propan-2-ylcyclobutane;1-propan-2-ylbicyclo[1.1.1]pentane;propan-2-ylcyclobutane;2-propan-2-ylspiro[2.2]pentane;2,3,3-trimethylpentane
SMILESCC(C)C(C)C.CC(C)C1(C)CCC1.CC(C)C12CC(C1)C2.CC(C)C1CC12CC2.CC(C)C1CCC1.CC(C)Cc1cccc(Cl)c1.CCC(C)(C)C(C)C.CCC(C)C(C)C
InChIInChI=1S/C10H13Cl.2C8H14.C8H16.C8H18.C7H14.C7H16.C6H14/c1-8(2)6-9-4-3-5-10(11)7-9;1-6(2)8-3-7(4-8)5-8;1-6(2)7-5-8(7)3-4-8;1-7(2)8(3)5-4-6-8;1-6-8(4,5)7(2)3;1-6(2)7-4-3-5-7;1-5-7(4)6(2)3;1-5(2)6(3)4/h3-5,7-8H,6H2,1-2H3;2*6-7H,3-5H2,1-2H3;7H,4-6H2,1-3H3;7H,6H2,1-5H3;6-7H,3-5H2,1-2H3;6-7H,5H2,1-4H3;5-6H,1-4H3
InChIKeyLDMOKJXWKDBFSW-UHFFFAOYSA-N
XLogP21.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.09
LogP ≤ 521.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-3-(2-methylpropyl)benzene;2,3-dimethylbutane;2,3-dimethylpentane;1-methyl-1-propan-2-ylcyclobutane;1-propan-2-ylbicyclo[1.1.1]pentane;propan-2-ylcyclobutane;2-propan-2-ylspiro[2.2]pentane;2,3,3-trimethylpentane with MolForge

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Related Compounds

1-chloro-3-(2-methylpropyl)benzene;propan-2-ylcyclobutane
CID 163536568
2-deuteriopropane;1-deuterio-1-propan-2-ylcyclohexane;3,3-dideuterio-2,2,4-trimethylpentane;1-methyl-1-propan-2-ylcyclopentane;2-methylpropylbenzene;propane;propan-2-ylcyclobutane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclooctane;propan-2-ylcyclopentane
CID 165031799
N-[1-(3-chlorophenyl)propan-2-yl]cyclopentanamine
CID 43694776
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65389818
2-(3-chlorophenyl)-1-cyclopentylethanamine
CID 60818439
N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80705084
[2-(3-chlorophenyl)-1-(2,2-dimethylcyclohexyl)ethyl]hydrazine
CID 107193281
2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine
CID 63528651
2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827634
2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine
CID 114216197
1-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-3-chlorobenzene
CID 107003146

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-methylpropyl)benzene;2,3-dimethylbutane;2,3-dimethylpentane;1-methyl-1-propan-2-ylcyclobutane;1-propan-2-ylbicyclo[1.1.1]pentane;propan-2-ylcyclobutane;2-propan-2-ylspiro[2.2]pentane;2,3,3-trimethylpentane?
The IUPAC name of 1-chloro-3-(2-methylpropyl)benzene;2,3-dimethylbutane;2,3-dimethylpentane;1-methyl-1-propan-2-ylcyclobutane;1-propan-2-ylbicyclo[1.1.1]pentane;propan-2-ylcyclobutane;2-propan-2-ylspiro[2.2]pentane;2,3,3-trimethylpentane (CID 159318864) is 1-chloro-3-(2-methylpropyl)benzene;2,3-dimethylbutane;2,3-dimethylpentane;1-methyl-1-propan-2-ylcyclobutane;1-propan-2-ylbicyclo[1.1.1]pentane;propan-2-ylcyclobutane;2-propan-2-ylspiro[2.2]pentane;2,3,3-trimethylpentane.
What is the SMILES notation for 1-chloro-3-(2-methylpropyl)benzene;2,3-dimethylbutane;2,3-dimethylpentane;1-methyl-1-propan-2-ylcyclobutane;1-propan-2-ylbicyclo[1.1.1]pentane;propan-2-ylcyclobutane;2-propan-2-ylspiro[2.2]pentane;2,3,3-trimethylpentane?
The canonical SMILES for 1-chloro-3-(2-methylpropyl)benzene;2,3-dimethylbutane;2,3-dimethylpentane;1-methyl-1-propan-2-ylcyclobutane;1-propan-2-ylbicyclo[1.1.1]pentane;propan-2-ylcyclobutane;2-propan-2-ylspiro[2.2]pentane;2,3,3-trimethylpentane is CC(C)C(C)C.CC(C)C1(C)CCC1.CC(C)C12CC(C1)C2.CC(C)C1CC12CC2.CC(C)C1CCC1.CC(C)Cc1cccc(Cl)c1.CCC(C)(C)C(C)C.CCC(C)C(C)C.
What is the InChIKey of 1-chloro-3-(2-methylpropyl)benzene;2,3-dimethylbutane;2,3-dimethylpentane;1-methyl-1-propan-2-ylcyclobutane;1-propan-2-ylbicyclo[1.1.1]pentane;propan-2-ylcyclobutane;2-propan-2-ylspiro[2.2]pentane;2,3,3-trimethylpentane?
The InChIKey is LDMOKJXWKDBFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl.2C8H14.C8H16.C8H18.C7H14.C7H16.C6H14/c1-8(2)6-9-4-3-5-10(11)7-9;1-6(2)8-3-7(4-8)5-8;1-6(2)7-5-8(7)3-4-8;1-7(2)8(3)5-4-6-8;1-6-8(4,5)7(2)3;1-6(2)7-4-3-5-7;1-5-7(4)6(2)3;1-5(2)6(3)4/h3-5,7-8H,6H2,1-2H3;2*6-7H,3-5H2,1-2H3;7H,4-6H2,1-3H3;7H,6H2,1-5H3;6-7H,3-5H2,1-2H3;6-7H,5H2,1-4H3;5-6H,1-4H3.
What are the key properties of 1-chloro-3-(2-methylpropyl)benzene;2,3-dimethylbutane;2,3-dimethylpentane;1-methyl-1-propan-2-ylcyclobutane;1-propan-2-ylbicyclo[1.1.1]pentane;propan-2-ylcyclobutane;2-propan-2-ylspiro[2.2]pentane;2,3,3-trimethylpentane?
1-chloro-3-(2-methylpropyl)benzene;2,3-dimethylbutane;2,3-dimethylpentane;1-methyl-1-propan-2-ylcyclobutane;1-propan-2-ylbicyclo[1.1.1]pentane;propan-2-ylcyclobutane;2-propan-2-ylspiro[2.2]pentane;2,3,3-trimethylpentane has a molecular weight of 900.09 g/mol, XLogP of 21.76, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-methylpropyl)benzene;2,3-dimethylbutane;2,3-dimethylpentane;1-methyl-1-propan-2-ylcyclobutane;1-propan-2-ylbicyclo[1.1.1]pentane;propan-2-ylcyclobutane;2-propan-2-ylspiro[2.2]pentane;2,3,3-trimethylpentane is sourced from PubChem (CID 159318864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).