1,3-bis(1-methylcyclopropyl)-5-propan-2-ylbenzene

C17H24 — CID 140641601

IUPAC1,3-bis(1-methylcyclopropyl)-5-propan-2-ylbenzene
SMILESCC(C)c1cc(C2(C)CC2)cc(C2(C)CC2)c1
InChIInChI=1S/C17H24/c1-12(2)13-9-14(16(3)5-6-16)11-15(10-13)17(4)7-8-17/h9-12H,5-8H2,1-4H3
InChIKeyXIXPPASAXBYRCK-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.91
Rot. Bonds3

About 1,3-bis(1-methylcyclopropyl)-5-propan-2-ylbenzene

1,3-bis(1-methylcyclopropyl)-5-propan-2-ylbenzene (PubChem CID 140641601) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,3-bis(1-methylcyclopropyl)-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1,3-bis(1-methylcyclopropyl)-5-propan-2-ylbenzene
PubChem CID140641601
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1,3-bis(1-methylcyclopropyl)-5-propan-2-ylbenzene
SMILESCC(C)c1cc(C2(C)CC2)cc(C2(C)CC2)c1
InChIInChI=1S/C17H24/c1-12(2)13-9-14(16(3)5-6-16)11-15(10-13)17(4)7-8-17/h9-12H,5-8H2,1-4H3
InChIKeyXIXPPASAXBYRCK-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-methylcyclopropyl)-5-propan-2-ylbenzene?
The IUPAC name of 1,3-bis(1-methylcyclopropyl)-5-propan-2-ylbenzene (CID 140641601) is 1,3-bis(1-methylcyclopropyl)-5-propan-2-ylbenzene.
What is the SMILES notation for 1,3-bis(1-methylcyclopropyl)-5-propan-2-ylbenzene?
The canonical SMILES for 1,3-bis(1-methylcyclopropyl)-5-propan-2-ylbenzene is CC(C)c1cc(C2(C)CC2)cc(C2(C)CC2)c1.
What is the InChIKey of 1,3-bis(1-methylcyclopropyl)-5-propan-2-ylbenzene?
The InChIKey is XIXPPASAXBYRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-12(2)13-9-14(16(3)5-6-16)11-15(10-13)17(4)7-8-17/h9-12H,5-8H2,1-4H3.
What are the key properties of 1,3-bis(1-methylcyclopropyl)-5-propan-2-ylbenzene?
1,3-bis(1-methylcyclopropyl)-5-propan-2-ylbenzene has a molecular weight of 228.38 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-methylcyclopropyl)-5-propan-2-ylbenzene is sourced from PubChem (CID 140641601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).