ethane;4-ethyl-2-methylhexane;toluene

C18H34 — CID 162724612

IUPACethane;4-ethyl-2-methylhexane;toluene
SMILESCC.CCC(CC)CC(C)C.Cc1ccccc1
InChIInChI=1S/C9H20.C7H8.C2H6/c1-5-9(6-2)7-8(3)4;1-7-5-3-2-4-6-7;1-2/h8-9H,5-7H2,1-4H3;2-6H,1H3;1-2H3
InChIKeyQLPZGRFREJGHDY-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.49
Rot. Bonds4

About ethane;4-ethyl-2-methylhexane;toluene

ethane;4-ethyl-2-methylhexane;toluene (PubChem CID 162724612) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is ethane;4-ethyl-2-methylhexane;toluene.

Molecular Properties

Compound Nameethane;4-ethyl-2-methylhexane;toluene
PubChem CID162724612
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Nameethane;4-ethyl-2-methylhexane;toluene
SMILESCC.CCC(CC)CC(C)C.Cc1ccccc1
InChIInChI=1S/C9H20.C7H8.C2H6/c1-5-9(6-2)7-8(3)4;1-7-5-3-2-4-6-7;1-2/h8-9H,5-7H2,1-4H3;2-6H,1H3;1-2H3
InChIKeyQLPZGRFREJGHDY-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-2-methylhexane;toluene?
The IUPAC name of ethane;4-ethyl-2-methylhexane;toluene (CID 162724612) is ethane;4-ethyl-2-methylhexane;toluene.
What is the SMILES notation for ethane;4-ethyl-2-methylhexane;toluene?
The canonical SMILES for ethane;4-ethyl-2-methylhexane;toluene is CC.CCC(CC)CC(C)C.Cc1ccccc1.
What is the InChIKey of ethane;4-ethyl-2-methylhexane;toluene?
The InChIKey is QLPZGRFREJGHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C7H8.C2H6/c1-5-9(6-2)7-8(3)4;1-7-5-3-2-4-6-7;1-2/h8-9H,5-7H2,1-4H3;2-6H,1H3;1-2H3.
What are the key properties of ethane;4-ethyl-2-methylhexane;toluene?
ethane;4-ethyl-2-methylhexane;toluene has a molecular weight of 250.47 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-2-methylhexane;toluene is sourced from PubChem (CID 162724612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).