cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene

C22H34 — CID 142052943

IUPACcyclopropylbenzene;ethane;1-ethyl-3-methylbenzene
SMILESCC.CC.CCc1cccc(C)c1.c1ccc(C2CC2)cc1
InChIInChI=1S/C9H10.C9H12.2C2H6/c1-2-4-8(5-3-1)9-6-7-9;1-3-9-6-4-5-8(2)7-9;2*1-2/h1-5,9H,6-7H2;4-7H,3H2,1-2H3;2*1-2H3
InChIKeyBTNBNFITEOLVRC-UHFFFAOYSA-N
MW298.51 g/mol
LogP7.17
Rot. Bonds2

About cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene

cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene (PubChem CID 142052943) has the molecular formula C22H34 and a molecular weight of 298.51 g/mol. Its IUPAC name is cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene.

Molecular Properties

Compound Namecyclopropylbenzene;ethane;1-ethyl-3-methylbenzene
PubChem CID142052943
Molecular FormulaC22H34
Molecular Weight298.51 g/mol
Exact Mass298.27
IUPAC Namecyclopropylbenzene;ethane;1-ethyl-3-methylbenzene
SMILESCC.CC.CCc1cccc(C)c1.c1ccc(C2CC2)cc1
InChIInChI=1S/C9H10.C9H12.2C2H6/c1-2-4-8(5-3-1)9-6-7-9;1-3-9-6-4-5-8(2)7-9;2*1-2/h1-5,9H,6-7H2;4-7H,3H2,1-2H3;2*1-2H3
InChIKeyBTNBNFITEOLVRC-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene?
The IUPAC name of cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene (CID 142052943) is cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene.
What is the SMILES notation for cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene?
The canonical SMILES for cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene is CC.CC.CCc1cccc(C)c1.c1ccc(C2CC2)cc1.
What is the InChIKey of cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene?
The InChIKey is BTNBNFITEOLVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C9H12.2C2H6/c1-2-4-8(5-3-1)9-6-7-9;1-3-9-6-4-5-8(2)7-9;2*1-2/h1-5,9H,6-7H2;4-7H,3H2,1-2H3;2*1-2H3.
What are the key properties of cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene?
cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene has a molecular weight of 298.51 g/mol, XLogP of 7.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene is sourced from PubChem (CID 142052943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).