ethane;methylcyclohexane;2-methylhexane

C16H36 — CID 142043372

IUPACethane;methylcyclohexane;2-methylhexane
SMILESCC.CC1CCCCC1.CCCCC(C)C
InChIInChI=1S/C7H14.C7H16.C2H6/c1-7-5-3-2-4-6-7;1-4-5-6-7(2)3;1-2/h7H,2-6H2,1H3;7H,4-6H2,1-3H3;1-2H3
InChIKeyZUCKSBMEXJVVSD-UHFFFAOYSA-N
MW228.46 g/mol
LogP6.45
Rot. Bonds3

About ethane;methylcyclohexane;2-methylhexane

ethane;methylcyclohexane;2-methylhexane (PubChem CID 142043372) has the molecular formula C16H36 and a molecular weight of 228.46 g/mol. Its IUPAC name is ethane;methylcyclohexane;2-methylhexane.

Molecular Properties

Compound Nameethane;methylcyclohexane;2-methylhexane
PubChem CID142043372
Molecular FormulaC16H36
Molecular Weight228.46 g/mol
Exact Mass228.28
IUPAC Nameethane;methylcyclohexane;2-methylhexane
SMILESCC.CC1CCCCC1.CCCCC(C)C
InChIInChI=1S/C7H14.C7H16.C2H6/c1-7-5-3-2-4-6-7;1-4-5-6-7(2)3;1-2/h7H,2-6H2,1H3;7H,4-6H2,1-3H3;1-2H3
InChIKeyZUCKSBMEXJVVSD-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.46
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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butane;bis(hexane);bis(methylcyclopentane)
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ethane;hexane;2-methylhexane
CID 142051007
ethane;2-methylhexane;propane
CID 144516512
methane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane
CID 159178653
butane;2,2-dimethylpropane;ethane;heptane;methane;bis(2-methylbutane);methylcyclohexane;2-methylpropane;pentane;propane
CID 160602933
butane;methylcyclopentane
CID 142053859
2-methylhexane;propane
CID 143695748
ethane;methylcyclopentane;propane
CID 142080084
2-methylhexane;dihydrate
CID 155319003
2-methylhexane;hydrochloride
CID 172797630
1-(3-butylheptyl)-6-methylcyclodecane
CID 135036007

Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclohexane;2-methylhexane?
The IUPAC name of ethane;methylcyclohexane;2-methylhexane (CID 142043372) is ethane;methylcyclohexane;2-methylhexane.
What is the SMILES notation for ethane;methylcyclohexane;2-methylhexane?
The canonical SMILES for ethane;methylcyclohexane;2-methylhexane is CC.CC1CCCCC1.CCCCC(C)C.
What is the InChIKey of ethane;methylcyclohexane;2-methylhexane?
The InChIKey is ZUCKSBMEXJVVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C7H16.C2H6/c1-7-5-3-2-4-6-7;1-4-5-6-7(2)3;1-2/h7H,2-6H2,1H3;7H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;methylcyclohexane;2-methylhexane?
ethane;methylcyclohexane;2-methylhexane has a molecular weight of 228.46 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylcyclohexane;2-methylhexane is sourced from PubChem (CID 142043372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).