2-ethenyl-1-methyl-4-propan-2-ylbenzene;2-methylpentan-2-ol

C18H30O — CID 166146990

IUPAC2-ethenyl-1-methyl-4-propan-2-ylbenzene;2-methylpentan-2-ol
SMILESC=Cc1cc(C(C)C)ccc1C.CCCC(C)(C)O
InChIInChI=1S/C12H16.C6H14O/c1-5-11-8-12(9(2)3)7-6-10(11)4;1-4-5-6(2,3)7/h5-9H,1H2,2-4H3;7H,4-5H2,1-3H3
InChIKeyGSQRELLXUAUZLS-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.32
Rot. Bonds4

About 2-ethenyl-1-methyl-4-propan-2-ylbenzene;2-methylpentan-2-ol

2-ethenyl-1-methyl-4-propan-2-ylbenzene;2-methylpentan-2-ol (PubChem CID 166146990) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-ethenyl-1-methyl-4-propan-2-ylbenzene;2-methylpentan-2-ol.

Molecular Properties

Compound Name2-ethenyl-1-methyl-4-propan-2-ylbenzene;2-methylpentan-2-ol
PubChem CID166146990
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2-ethenyl-1-methyl-4-propan-2-ylbenzene;2-methylpentan-2-ol
SMILESC=Cc1cc(C(C)C)ccc1C.CCCC(C)(C)O
InChIInChI=1S/C12H16.C6H14O/c1-5-11-8-12(9(2)3)7-6-10(11)4;1-4-5-6(2,3)7/h5-9H,1H2,2-4H3;7H,4-5H2,1-3H3
InChIKeyGSQRELLXUAUZLS-UHFFFAOYSA-N
XLogP5.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-methyl-4-propan-2-ylbenzene;2-methylpentan-2-ol?
The IUPAC name of 2-ethenyl-1-methyl-4-propan-2-ylbenzene;2-methylpentan-2-ol (CID 166146990) is 2-ethenyl-1-methyl-4-propan-2-ylbenzene;2-methylpentan-2-ol.
What is the SMILES notation for 2-ethenyl-1-methyl-4-propan-2-ylbenzene;2-methylpentan-2-ol?
The canonical SMILES for 2-ethenyl-1-methyl-4-propan-2-ylbenzene;2-methylpentan-2-ol is C=Cc1cc(C(C)C)ccc1C.CCCC(C)(C)O.
What is the InChIKey of 2-ethenyl-1-methyl-4-propan-2-ylbenzene;2-methylpentan-2-ol?
The InChIKey is GSQRELLXUAUZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C6H14O/c1-5-11-8-12(9(2)3)7-6-10(11)4;1-4-5-6(2,3)7/h5-9H,1H2,2-4H3;7H,4-5H2,1-3H3.
What are the key properties of 2-ethenyl-1-methyl-4-propan-2-ylbenzene;2-methylpentan-2-ol?
2-ethenyl-1-methyl-4-propan-2-ylbenzene;2-methylpentan-2-ol has a molecular weight of 262.44 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methyl-4-propan-2-ylbenzene;2-methylpentan-2-ol is sourced from PubChem (CID 166146990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).