ethane;ethene;1-ethenyl-2-methylbenzene;propane

C16H28 — CID 142045416

IUPACethane;ethene;1-ethenyl-2-methylbenzene;propane
SMILESC=C.C=Cc1ccccc1C.CC.CCC
InChIInChI=1S/C9H10.C3H8.C2H6.C2H4/c1-3-9-7-5-4-6-8(9)2;1-3-2;2*1-2/h3-7H,1H2,2H3;3H2,1-2H3;1-2H3;1-2H2
InChIKeyFKCCTCKKQCSCEH-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.88
Rot. Bonds1

About ethane;ethene;1-ethenyl-2-methylbenzene;propane

ethane;ethene;1-ethenyl-2-methylbenzene;propane (PubChem CID 142045416) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is ethane;ethene;1-ethenyl-2-methylbenzene;propane.

Molecular Properties

Compound Nameethane;ethene;1-ethenyl-2-methylbenzene;propane
PubChem CID142045416
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Nameethane;ethene;1-ethenyl-2-methylbenzene;propane
SMILESC=C.C=Cc1ccccc1C.CC.CCC
InChIInChI=1S/C9H10.C3H8.C2H6.C2H4/c1-3-9-7-5-4-6-8(9)2;1-3-2;2*1-2/h3-7H,1H2,2H3;3H2,1-2H3;1-2H3;1-2H2
InChIKeyFKCCTCKKQCSCEH-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-2-methylbenzene;sulfane
CID 175547085
lithium;1-ethenyl-2-methylbenzene;hydride
CID 174441225
1-ethenyl-2-methylbenzene;heptane
CID 173354339
1-ethenyl-2-methylbenzene;trimethylazanium
CID 18465530
ethenoxyethene;1-ethenyl-2-methylbenzene
CID 175558522
1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide
CID 174713948
1-ethenyl-2-ethyl-4-methylbenzene;1-ethenyl-2-methylbenzene
CID 173409250
ethane;1-ethenyl-2-methylbenzene;(3E,5E)-2,2,3,6-tetramethylocta-3,5-diene
CID 155717440
ethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene
CID 176998794
1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane
CID 143099406
1,2-bis(ethenyl)benzene;ethane;prop-1-ene
CID 143139503
buta-1,3-diene;1-ethenyl-2-methylbenzene;2-methylprop-2-enoic acid
CID 175445378

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;1-ethenyl-2-methylbenzene;propane?
The IUPAC name of ethane;ethene;1-ethenyl-2-methylbenzene;propane (CID 142045416) is ethane;ethene;1-ethenyl-2-methylbenzene;propane.
What is the SMILES notation for ethane;ethene;1-ethenyl-2-methylbenzene;propane?
The canonical SMILES for ethane;ethene;1-ethenyl-2-methylbenzene;propane is C=C.C=Cc1ccccc1C.CC.CCC.
What is the InChIKey of ethane;ethene;1-ethenyl-2-methylbenzene;propane?
The InChIKey is FKCCTCKKQCSCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C3H8.C2H6.C2H4/c1-3-9-7-5-4-6-8(9)2;1-3-2;2*1-2/h3-7H,1H2,2H3;3H2,1-2H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;1-ethenyl-2-methylbenzene;propane?
ethane;ethene;1-ethenyl-2-methylbenzene;propane has a molecular weight of 220.40 g/mol, XLogP of 5.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;1-ethenyl-2-methylbenzene;propane is sourced from PubChem (CID 142045416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).