ethane;tris(2-methylprop-1-ene)

C20H48 — CID 144520420

IUPACethane;tris(2-methylprop-1-ene)
SMILESC=C(C)C.C=C(C)C.C=C(C)C.CC.CC.CC.CC
InChIInChI=1S/3C4H8.4C2H6/c3*1-4(2)3;4*1-2/h3*1H2,2-3H3;4*1-2H3
InChIKeyYWDLOGPBEOOCIF-UHFFFAOYSA-N
MW288.60 g/mol
LogP8.85
Rot. Bonds

About ethane;tris(2-methylprop-1-ene)

ethane;tris(2-methylprop-1-ene) (PubChem CID 144520420) has the molecular formula C20H48 and a molecular weight of 288.60 g/mol. Its IUPAC name is ethane;tris(2-methylprop-1-ene).

Molecular Properties

Compound Nameethane;tris(2-methylprop-1-ene)
PubChem CID144520420
Molecular FormulaC20H48
Molecular Weight288.60 g/mol
Exact Mass288.38
IUPAC Nameethane;tris(2-methylprop-1-ene)
SMILESC=C(C)C.C=C(C)C.C=C(C)C.CC.CC.CC.CC
InChIInChI=1S/3C4H8.4C2H6/c3*1-4(2)3;4*1-2/h3*1H2,2-3H3;4*1-2H3
InChIKeyYWDLOGPBEOOCIF-UHFFFAOYSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.60
LogP ≤ 58.85
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

methane;tetrakis(2-methylprop-1-ene)
CID 159196476
lithium;hydride;2-methylprop-1-ene
CID 174274839
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
butane;ethane;2-methylprop-1-ene
CID 142168819
bis(2-methylprop-1-ene);phosphorous acid
CID 175970460
bis(N,N-dimethylmethanamine);2-methylprop-1-ene
CID 174752405
bis(2-methylprop-1-ene);propane
CID 159493997
tetrakis(ethane-1,2-diol);2-methylprop-1-ene
CID 173101980
buta-1,3-diene;bis(2-methylprop-1-ene)
CID 157325462
acetic acid;2-methylprop-1-ene
CID 139328555
ethane-1,2-diol;bis(2-methylprop-1-ene)
CID 158620433
buta-1,3-diene;ethane;N-methylmethanamine;2-methylprop-1-ene
CID 145396267

Frequently Asked Questions

What is the IUPAC name of ethane;tris(2-methylprop-1-ene)?
The IUPAC name of ethane;tris(2-methylprop-1-ene) (CID 144520420) is ethane;tris(2-methylprop-1-ene).
What is the SMILES notation for ethane;tris(2-methylprop-1-ene)?
The canonical SMILES for ethane;tris(2-methylprop-1-ene) is C=C(C)C.C=C(C)C.C=C(C)C.CC.CC.CC.CC.
What is the InChIKey of ethane;tris(2-methylprop-1-ene)?
The InChIKey is YWDLOGPBEOOCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H8.4C2H6/c3*1-4(2)3;4*1-2/h3*1H2,2-3H3;4*1-2H3.
What are the key properties of ethane;tris(2-methylprop-1-ene)?
ethane;tris(2-methylprop-1-ene) has a molecular weight of 288.60 g/mol, XLogP of 8.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tris(2-methylprop-1-ene) is sourced from PubChem (CID 144520420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).