2,2-dimethylhexane;tris(prop-1-ene)

C17H36 — CID 160899116

IUPAC2,2-dimethylhexane;tris(prop-1-ene)
SMILESC=CC.C=CC.C=CC.CCCCC(C)(C)C
InChIInChI=1S/C8H18.3C3H6/c1-5-6-7-8(2,3)4;3*1-3-2/h5-7H2,1-4H3;3*3H,1H2,2H3
InChIKeySPGNHYBYNDHCMU-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.80
Rot. Bonds2

About 2,2-dimethylhexane;tris(prop-1-ene)

2,2-dimethylhexane;tris(prop-1-ene) (PubChem CID 160899116) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 2,2-dimethylhexane;tris(prop-1-ene).

Molecular Properties

Compound Name2,2-dimethylhexane;tris(prop-1-ene)
PubChem CID160899116
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name2,2-dimethylhexane;tris(prop-1-ene)
SMILESC=CC.C=CC.C=CC.CCCCC(C)(C)C
InChIInChI=1S/C8H18.3C3H6/c1-5-6-7-8(2,3)4;3*1-3-2/h5-7H2,1-4H3;3*3H,1H2,2H3
InChIKeySPGNHYBYNDHCMU-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylhexane;tris(prop-1-ene)?
The IUPAC name of 2,2-dimethylhexane;tris(prop-1-ene) (CID 160899116) is 2,2-dimethylhexane;tris(prop-1-ene).
What is the SMILES notation for 2,2-dimethylhexane;tris(prop-1-ene)?
The canonical SMILES for 2,2-dimethylhexane;tris(prop-1-ene) is C=CC.C=CC.C=CC.CCCCC(C)(C)C.
What is the InChIKey of 2,2-dimethylhexane;tris(prop-1-ene)?
The InChIKey is SPGNHYBYNDHCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.3C3H6/c1-5-6-7-8(2,3)4;3*1-3-2/h5-7H2,1-4H3;3*3H,1H2,2H3.
What are the key properties of 2,2-dimethylhexane;tris(prop-1-ene)?
2,2-dimethylhexane;tris(prop-1-ene) has a molecular weight of 240.47 g/mol, XLogP of 6.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylhexane;tris(prop-1-ene) is sourced from PubChem (CID 160899116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).