1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane

C19H32 — CID 167499683

IUPAC1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane
SMILESC.Cc1cc(C(C)(C)C)c(C2CC2)c(C(C)(C)C)c1
InChIInChI=1S/C18H28.CH4/c1-12-10-14(17(2,3)4)16(13-8-9-13)15(11-12)18(5,6)7;/h10-11,13H,8-9H2,1-7H3;1H4
InChIKeyQXSLWEOGPZBOEH-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.10
Rot. Bonds1

About 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane

1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane (PubChem CID 167499683) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane.

Molecular Properties

Compound Name1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane
PubChem CID167499683
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane
SMILESC.Cc1cc(C(C)(C)C)c(C2CC2)c(C(C)(C)C)c1
InChIInChI=1S/C18H28.CH4/c1-12-10-14(17(2,3)4)16(13-8-9-13)15(11-12)18(5,6)7;/h10-11,13H,8-9H2,1-7H3;1H4
InChIKeyQXSLWEOGPZBOEH-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 7247
CID 7247
CID 7390
CID 7390
CID 10263
CID 10263
CID 10695
CID 10695
CID 12860
CID 12860
CID 121677
CID 121677
CID 13629
CID 13629
CID 68057
CID 68057
CID 7269
CID 7269
CID 13895
CID 13895
CID 15627
CID 15627
CID 22570
CID 22570

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane?
The IUPAC name of 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane (CID 167499683) is 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane.
What is the SMILES notation for 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane?
The canonical SMILES for 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane is C.Cc1cc(C(C)(C)C)c(C2CC2)c(C(C)(C)C)c1.
What is the InChIKey of 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane?
The InChIKey is QXSLWEOGPZBOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28.CH4/c1-12-10-14(17(2,3)4)16(13-8-9-13)15(11-12)18(5,6)7;/h10-11,13H,8-9H2,1-7H3;1H4.
What are the key properties of 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane?
1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane has a molecular weight of 260.46 g/mol, XLogP of 6.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane is sourced from PubChem (CID 167499683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).