[(E)-but-2-en-2-yl]benzene;ethane;propane

C17H32 — CID 144534728

IUPAC[(E)-but-2-en-2-yl]benzene;ethane;propane
SMILESC/C=C(\C)c1ccccc1.CC.CC.CCC
InChIInChI=1S/C10H12.C3H8.2C2H6/c1-3-9(2)10-7-5-4-6-8-10;1-3-2;2*1-2/h3-8H,1-2H3;3H2,1-2H3;2*1-2H3/b9-3+;;;
InChIKeyHBJQSYVORBVJPO-JVHOGRKKSA-N
MW236.44 g/mol
LogP6.58
Rot. Bonds1

About [(E)-but-2-en-2-yl]benzene;ethane;propane

[(E)-but-2-en-2-yl]benzene;ethane;propane (PubChem CID 144534728) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is [(E)-but-2-en-2-yl]benzene;ethane;propane.

Molecular Properties

Compound Name[(E)-but-2-en-2-yl]benzene;ethane;propane
PubChem CID144534728
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name[(E)-but-2-en-2-yl]benzene;ethane;propane
SMILESC/C=C(\C)c1ccccc1.CC.CC.CCC
InChIInChI=1S/C10H12.C3H8.2C2H6/c1-3-9(2)10-7-5-4-6-8-10;1-3-2;2*1-2/h3-8H,1-2H3;3H2,1-2H3;2*1-2H3/b9-3+;;;
InChIKeyHBJQSYVORBVJPO-JVHOGRKKSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-en-2-yl]benzene;ethane;propane?
The IUPAC name of [(E)-but-2-en-2-yl]benzene;ethane;propane (CID 144534728) is [(E)-but-2-en-2-yl]benzene;ethane;propane.
What is the SMILES notation for [(E)-but-2-en-2-yl]benzene;ethane;propane?
The canonical SMILES for [(E)-but-2-en-2-yl]benzene;ethane;propane is C/C=C(\C)c1ccccc1.CC.CC.CCC.
What is the InChIKey of [(E)-but-2-en-2-yl]benzene;ethane;propane?
The InChIKey is HBJQSYVORBVJPO-JVHOGRKKSA-N. The full InChI is InChI=1S/C10H12.C3H8.2C2H6/c1-3-9(2)10-7-5-4-6-8-10;1-3-2;2*1-2/h3-8H,1-2H3;3H2,1-2H3;2*1-2H3/b9-3+;;;.
What are the key properties of [(E)-but-2-en-2-yl]benzene;ethane;propane?
[(E)-but-2-en-2-yl]benzene;ethane;propane has a molecular weight of 236.44 g/mol, XLogP of 6.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-en-2-yl]benzene;ethane;propane is sourced from PubChem (CID 144534728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).