1,4-dimethylcyclohexane;3-methylpentane;propane

C17H38 — CID 91316763

IUPAC1,4-dimethylcyclohexane;3-methylpentane;propane
SMILESCC1CCC(C)CC1.CCC.CCC(C)CC
InChIInChI=1S/C8H16.C6H14.C3H8/c1-7-3-5-8(2)6-4-7;1-4-6(3)5-2;1-3-2/h7-8H,3-6H2,1-2H3;6H,4-5H2,1-3H3;3H2,1-2H3
InChIKeyPRKVMZMSPORBBT-UHFFFAOYSA-N
MW242.49 g/mol
LogP6.69
Rot. Bonds2

About 1,4-dimethylcyclohexane;3-methylpentane;propane

1,4-dimethylcyclohexane;3-methylpentane;propane (PubChem CID 91316763) has the molecular formula C17H38 and a molecular weight of 242.49 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;3-methylpentane;propane.

Molecular Properties

Compound Name1,4-dimethylcyclohexane;3-methylpentane;propane
PubChem CID91316763
Molecular FormulaC17H38
Molecular Weight242.49 g/mol
Exact Mass242.30
IUPAC Name1,4-dimethylcyclohexane;3-methylpentane;propane
SMILESCC1CCC(C)CC1.CCC.CCC(C)CC
InChIInChI=1S/C8H16.C6H14.C3H8/c1-7-3-5-8(2)6-4-7;1-4-6(3)5-2;1-3-2/h7-8H,3-6H2,1-2H3;6H,4-5H2,1-3H3;3H2,1-2H3
InChIKeyPRKVMZMSPORBBT-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.49
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657
3-methylpentane;propane
CID 123266773
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179
1-butan-2-yl-4-methylcyclohexane
CID 20676481
2,2-dimethylpropane;methylcyclohexane;methylcyclopentane;methylcyclopropane;4-methyloxane;3-methylpentane;2-methylpropane
CID 159754047
1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane
CID 123280607
butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane
CID 160734051
3-methylpentane;hydrate
CID 144914279
ethane;3-methylpentane
CID 91147782
methane;3-methylpentane
CID 153359275
methane;3-methylpentane
CID 157218592
1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane
CID 142348869

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane;3-methylpentane;propane?
The IUPAC name of 1,4-dimethylcyclohexane;3-methylpentane;propane (CID 91316763) is 1,4-dimethylcyclohexane;3-methylpentane;propane.
What is the SMILES notation for 1,4-dimethylcyclohexane;3-methylpentane;propane?
The canonical SMILES for 1,4-dimethylcyclohexane;3-methylpentane;propane is CC1CCC(C)CC1.CCC.CCC(C)CC.
What is the InChIKey of 1,4-dimethylcyclohexane;3-methylpentane;propane?
The InChIKey is PRKVMZMSPORBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C6H14.C3H8/c1-7-3-5-8(2)6-4-7;1-4-6(3)5-2;1-3-2/h7-8H,3-6H2,1-2H3;6H,4-5H2,1-3H3;3H2,1-2H3.
What are the key properties of 1,4-dimethylcyclohexane;3-methylpentane;propane?
1,4-dimethylcyclohexane;3-methylpentane;propane has a molecular weight of 242.49 g/mol, XLogP of 6.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexane;3-methylpentane;propane is sourced from PubChem (CID 91316763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).