1,3-bis(2-cyclopropylethyl)-5-methylbenzene

C17H24 — CID 170966116

IUPAC1,3-bis(2-cyclopropylethyl)-5-methylbenzene
SMILESCc1cc(CCC2CC2)cc(CCC2CC2)c1
InChIInChI=1S/C17H24/c1-13-10-16(8-6-14-2-3-14)12-17(11-13)9-7-15-4-5-15/h10-12,14-15H,2-9H2,1H3
InChIKeyGTANXSOYXRVARS-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.68
Rot. Bonds6

About 1,3-bis(2-cyclopropylethyl)-5-methylbenzene

1,3-bis(2-cyclopropylethyl)-5-methylbenzene (PubChem CID 170966116) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,3-bis(2-cyclopropylethyl)-5-methylbenzene.

Molecular Properties

Compound Name1,3-bis(2-cyclopropylethyl)-5-methylbenzene
PubChem CID170966116
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1,3-bis(2-cyclopropylethyl)-5-methylbenzene
SMILESCc1cc(CCC2CC2)cc(CCC2CC2)c1
InChIInChI=1S/C17H24/c1-13-10-16(8-6-14-2-3-14)12-17(11-13)9-7-15-4-5-15/h10-12,14-15H,2-9H2,1H3
InChIKeyGTANXSOYXRVARS-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-bis(2-cyclopropylethyl)-5-methylbenzene;1-(3-cyclopropylpropyl)-3-pentylbenzene
CID 170966148
1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene
CID 59931361
5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene
CID 167149931
1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
CID 21136635
1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]-2-[(E)-prop-1-enyl]benzene
CID 89134725
2-chloro-5-[2-[2,6-difluoro-4-[2-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]ethyl]phenyl]ethyl]-1,3-difluorobenzene
CID 54569734
2-[3,5-bis(3-cyclopropylpropyl)phenyl]ethanol
CID 169005685
1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 21136661
1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen
CID 159699937
ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane
CID 54345926
2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene
CID 21136716
N-(2-cyclopropylethyl)-3-fluoro-5-methylaniline
CID 79054586

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-cyclopropylethyl)-5-methylbenzene?
The IUPAC name of 1,3-bis(2-cyclopropylethyl)-5-methylbenzene (CID 170966116) is 1,3-bis(2-cyclopropylethyl)-5-methylbenzene.
What is the SMILES notation for 1,3-bis(2-cyclopropylethyl)-5-methylbenzene?
The canonical SMILES for 1,3-bis(2-cyclopropylethyl)-5-methylbenzene is Cc1cc(CCC2CC2)cc(CCC2CC2)c1.
What is the InChIKey of 1,3-bis(2-cyclopropylethyl)-5-methylbenzene?
The InChIKey is GTANXSOYXRVARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-13-10-16(8-6-14-2-3-14)12-17(11-13)9-7-15-4-5-15/h10-12,14-15H,2-9H2,1H3.
What are the key properties of 1,3-bis(2-cyclopropylethyl)-5-methylbenzene?
1,3-bis(2-cyclopropylethyl)-5-methylbenzene has a molecular weight of 228.38 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-cyclopropylethyl)-5-methylbenzene is sourced from PubChem (CID 170966116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).