ethane;tris(prop-1-en-2-ylbenzene)

C39H66 — CID 161299444

IUPACethane;tris(prop-1-en-2-ylbenzene)
SMILESC=C(C)c1ccccc1.C=C(C)c1ccccc1.C=C(C)c1ccccc1.CC.CC.CC.CC.CC.CC
InChIInChI=1S/3C9H10.6C2H6/c3*1-8(2)9-6-4-3-5-7-9;6*1-2/h3*3-7H,1H2,2H3;6*1-2H3
InChIKeyVHKHEAKTFAERRY-UHFFFAOYSA-N
MW534.96 g/mol
LogP14.32
Rot. Bonds3

About ethane;tris(prop-1-en-2-ylbenzene)

ethane;tris(prop-1-en-2-ylbenzene) (PubChem CID 161299444) has the molecular formula C39H66 and a molecular weight of 534.96 g/mol. Its IUPAC name is ethane;tris(prop-1-en-2-ylbenzene).

Molecular Properties

Compound Nameethane;tris(prop-1-en-2-ylbenzene)
PubChem CID161299444
Molecular FormulaC39H66
Molecular Weight534.96 g/mol
Exact Mass534.52
IUPAC Nameethane;tris(prop-1-en-2-ylbenzene)
SMILESC=C(C)c1ccccc1.C=C(C)c1ccccc1.C=C(C)c1ccccc1.CC.CC.CC.CC.CC.CC
InChIInChI=1S/3C9H10.6C2H6/c3*1-8(2)9-6-4-3-5-7-9;6*1-2/h3*3-7H,1H2,2H3;6*1-2H3
InChIKeyVHKHEAKTFAERRY-UHFFFAOYSA-N
XLogP14.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.96
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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prop-1-en-2-ylbenzene;1,1,2,2-tetrafluoroethene
CID 161134762
methane;propane;prop-1-en-2-ylbenzene
CID 145329923
ethenamine;prop-1-en-2-ylbenzene
CID 172805831
methylimino(oxo)methane;prop-1-en-2-ylbenzene
CID 157367451
bis(prop-1-en-2-ylbenzene);styrene
CID 157311042
lithium;butane;prop-1-en-2-ylbenzene
CID 173314205
2-phenylethenol;prop-1-en-2-ylbenzene
CID 162256801
(3Z)-5,6-dimethylhepta-1,3,5-triene;ethane;prop-1-en-2-ylbenzene
CID 143844790

Frequently Asked Questions

What is the IUPAC name of ethane;tris(prop-1-en-2-ylbenzene)?
The IUPAC name of ethane;tris(prop-1-en-2-ylbenzene) (CID 161299444) is ethane;tris(prop-1-en-2-ylbenzene).
What is the SMILES notation for ethane;tris(prop-1-en-2-ylbenzene)?
The canonical SMILES for ethane;tris(prop-1-en-2-ylbenzene) is C=C(C)c1ccccc1.C=C(C)c1ccccc1.C=C(C)c1ccccc1.CC.CC.CC.CC.CC.CC.
What is the InChIKey of ethane;tris(prop-1-en-2-ylbenzene)?
The InChIKey is VHKHEAKTFAERRY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H10.6C2H6/c3*1-8(2)9-6-4-3-5-7-9;6*1-2/h3*3-7H,1H2,2H3;6*1-2H3.
What are the key properties of ethane;tris(prop-1-en-2-ylbenzene)?
ethane;tris(prop-1-en-2-ylbenzene) has a molecular weight of 534.96 g/mol, XLogP of 14.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tris(prop-1-en-2-ylbenzene) is sourced from PubChem (CID 161299444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).