ethane;heptane;toluene

C16H30 — CID 145106448

IUPACethane;heptane;toluene
SMILESCC.CCCCCCC.Cc1ccccc1
InChIInChI=1S/C7H8.C7H16.C2H6/c1-7-5-3-2-4-6-7;1-3-5-7-6-4-2;1-2/h2-6H,1H3;3-7H2,1-2H3;1-2H3
InChIKeyNIFDCAFUEHPSCR-UHFFFAOYSA-N
MW222.42 g/mol
LogP6.00
Rot. Bonds4

About ethane;heptane;toluene

ethane;heptane;toluene (PubChem CID 145106448) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is ethane;heptane;toluene.

Molecular Properties

Compound Nameethane;heptane;toluene
PubChem CID145106448
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Nameethane;heptane;toluene
SMILESCC.CCCCCCC.Cc1ccccc1
InChIInChI=1S/C7H8.C7H16.C2H6/c1-7-5-3-2-4-6-7;1-3-5-7-6-4-2;1-2/h2-6H,1H3;3-7H2,1-2H3;1-2H3
InChIKeyNIFDCAFUEHPSCR-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
P-Cymene
CID 7463
Indene
CID 7219
Cumene
CID 7406
Butylbenzene
CID 7705

Frequently Asked Questions

What is the IUPAC name of ethane;heptane;toluene?
The IUPAC name of ethane;heptane;toluene (CID 145106448) is ethane;heptane;toluene.
What is the SMILES notation for ethane;heptane;toluene?
The canonical SMILES for ethane;heptane;toluene is CC.CCCCCCC.Cc1ccccc1.
What is the InChIKey of ethane;heptane;toluene?
The InChIKey is NIFDCAFUEHPSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C7H16.C2H6/c1-7-5-3-2-4-6-7;1-3-5-7-6-4-2;1-2/h2-6H,1H3;3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;heptane;toluene?
ethane;heptane;toluene has a molecular weight of 222.42 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;heptane;toluene is sourced from PubChem (CID 145106448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).