ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene

C17H30 — CID 144516269

IUPACethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(CC(C)C)cc1.CC.CC
InChIInChI=1S/C13H18.2C2H6/c1-10(2)9-12-5-7-13(8-6-12)11(3)4;2*1-2/h5-8,10H,3,9H2,1-2,4H3;2*1-2H3
InChIKeyDSRWGGOSAXCRIA-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.97
Rot. Bonds3

About ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene

ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene (PubChem CID 144516269) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Nameethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
PubChem CID144516269
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Nameethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(CC(C)C)cc1.CC.CC
InChIInChI=1S/C13H18.2C2H6/c1-10(2)9-12-5-7-13(8-6-12)11(3)4;2*1-2/h5-8,10H,3,9H2,1-2,4H3;2*1-2H3
InChIKeyDSRWGGOSAXCRIA-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene?
The IUPAC name of ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene (CID 144516269) is ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene?
The canonical SMILES for ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(CC(C)C)cc1.CC.CC.
What is the InChIKey of ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene?
The InChIKey is DSRWGGOSAXCRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.2C2H6/c1-10(2)9-12-5-7-13(8-6-12)11(3)4;2*1-2/h5-8,10H,3,9H2,1-2,4H3;2*1-2H3.
What are the key properties of ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene?
ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene has a molecular weight of 234.43 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 144516269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).