2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene

C17H28O — CID 142213493

IUPAC2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(C)cc(OC(C)C)c1.CC(C)C
InChIInChI=1S/C13H18O.C4H10/c1-9(2)12-6-11(5)7-13(8-12)14-10(3)4;1-4(2)3/h6-8,10H,1H2,2-5H3;4H,1-3H3
InChIKeyKOVTWXQUTDRMHE-UHFFFAOYSA-N
MW248.41 g/mol
LogP5.48
Rot. Bonds3

About 2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene

2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene (PubChem CID 142213493) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene
PubChem CID142213493
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(C)cc(OC(C)C)c1.CC(C)C
InChIInChI=1S/C13H18O.C4H10/c1-9(2)12-6-11(5)7-13(8-12)14-10(3)4;1-4(2)3/h6-8,10H,1H2,2-5H3;4H,1-3H3
InChIKeyKOVTWXQUTDRMHE-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene?
The IUPAC name of 2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene (CID 142213493) is 2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene.
What is the SMILES notation for 2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene?
The canonical SMILES for 2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene is C=C(C)c1cc(C)cc(OC(C)C)c1.CC(C)C.
What is the InChIKey of 2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene?
The InChIKey is KOVTWXQUTDRMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C4H10/c1-9(2)12-6-11(5)7-13(8-12)14-10(3)4;1-4(2)3/h6-8,10H,1H2,2-5H3;4H,1-3H3.
What are the key properties of 2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene?
2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene has a molecular weight of 248.41 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene is sourced from PubChem (CID 142213493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).