ethane;hexane;2-methylhexane

C15H36 — CID 142051007

IUPACethane;hexane;2-methylhexane
SMILESCC.CCCCC(C)C.CCCCCC
InChIInChI=1S/C7H16.C6H14.C2H6/c1-4-5-6-7(2)3;1-3-5-6-4-2;1-2/h7H,4-6H2,1-3H3;3-6H2,1-2H3;1-2H3
InChIKeyCCIYRZJPGWYHHR-UHFFFAOYSA-N
MW216.45 g/mol
LogP6.45
Rot. Bonds6

About ethane;hexane;2-methylhexane

ethane;hexane;2-methylhexane (PubChem CID 142051007) has the molecular formula C15H36 and a molecular weight of 216.45 g/mol. Its IUPAC name is ethane;hexane;2-methylhexane.

Molecular Properties

Compound Nameethane;hexane;2-methylhexane
PubChem CID142051007
Molecular FormulaC15H36
Molecular Weight216.45 g/mol
Exact Mass216.28
IUPAC Nameethane;hexane;2-methylhexane
SMILESCC.CCCCC(C)C.CCCCCC
InChIInChI=1S/C7H16.C6H14.C2H6/c1-4-5-6-7(2)3;1-3-5-6-4-2;1-2/h7H,4-6H2,1-3H3;3-6H2,1-2H3;1-2H3
InChIKeyCCIYRZJPGWYHHR-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.45
LogP ≤ 56.45
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

ethane;2-methylhexane;propane
CID 144516512
2-methylhexane;propane
CID 143695748
2-methylhexane;dihydrate
CID 155319003
2-methylhexane;hydrochloride
CID 172797630
ethane;methane;2-methylheptane;propane
CID 143683767
ethane;2-methyloctane;pentane
CID 144527652
mercury;2-methylheptane
CID 175108338
2-methylpentaoctacontane
CID 90745672
bis(2-methylheptane);propane
CID 158714851
cobalt;2-methylheptane
CID 175521472
2-methyltetratriacontane
CID 14275207
CID 91544051
CID 91544051

Frequently Asked Questions

What is the IUPAC name of ethane;hexane;2-methylhexane?
The IUPAC name of ethane;hexane;2-methylhexane (CID 142051007) is ethane;hexane;2-methylhexane.
What is the SMILES notation for ethane;hexane;2-methylhexane?
The canonical SMILES for ethane;hexane;2-methylhexane is CC.CCCCC(C)C.CCCCCC.
What is the InChIKey of ethane;hexane;2-methylhexane?
The InChIKey is CCIYRZJPGWYHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C6H14.C2H6/c1-4-5-6-7(2)3;1-3-5-6-4-2;1-2/h7H,4-6H2,1-3H3;3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;hexane;2-methylhexane?
ethane;hexane;2-methylhexane has a molecular weight of 216.45 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hexane;2-methylhexane is sourced from PubChem (CID 142051007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).