methane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane

C37H80 — CID 159178653

IUPACmethane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane
SMILESC.CC(C)CC(C)C(C)C.CC(C)CC1CCCCC1.CC1CCC(C(C)C)CC1.CCCCC(C)C
InChIInChI=1S/2C10H20.C9H20.C7H16.CH4/c1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-7(2)6-9(5)8(3)4;1-4-5-6-7(2)3;/h8-10H,4-7H2,1-3H3;9-10H,3-8H2,1-2H3;7-9H,6H2,1-5H3;7H,4-6H2,1-3H3;1H4
InChIKeyKMPIIIBBWWMURH-UHFFFAOYSA-N
MW525.05 g/mol
LogP13.87
Rot. Bonds9

About methane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane

methane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane (PubChem CID 159178653) has the molecular formula C37H80 and a molecular weight of 525.05 g/mol. Its IUPAC name is methane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane.

Molecular Properties

Compound Namemethane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane
PubChem CID159178653
Molecular FormulaC37H80
Molecular Weight525.05 g/mol
Exact Mass524.63
IUPAC Namemethane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane
SMILESC.CC(C)CC(C)C(C)C.CC(C)CC1CCCCC1.CC1CCC(C(C)C)CC1.CCCCC(C)C
InChIInChI=1S/2C10H20.C9H20.C7H16.CH4/c1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-7(2)6-9(5)8(3)4;1-4-5-6-7(2)3;/h8-10H,4-7H2,1-3H3;9-10H,3-8H2,1-2H3;7-9H,6H2,1-5H3;7H,4-6H2,1-3H3;1H4
InChIKeyKMPIIIBBWWMURH-UHFFFAOYSA-N
XLogP13.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.05
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze methane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane with MolForge

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Related Compounds

ethane;methylcyclohexane;2-methylhexane
CID 142043372
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
methane;2-methylpropylcyclopentane
CID 161254337
2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane
CID 160935897
heptane;1-methyl-4-propan-2-ylcyclohexane
CID 145172646
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
2,3-dimethylbutylcyclodecane
CID 123220792
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
1-cycloheptyl-N-methylhexan-2-amine
CID 115832695
N-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 62604529

Frequently Asked Questions

What is the IUPAC name of methane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane?
The IUPAC name of methane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane (CID 159178653) is methane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane.
What is the SMILES notation for methane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane?
The canonical SMILES for methane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane is C.CC(C)CC(C)C(C)C.CC(C)CC1CCCCC1.CC1CCC(C(C)C)CC1.CCCCC(C)C.
What is the InChIKey of methane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane?
The InChIKey is KMPIIIBBWWMURH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20.C9H20.C7H16.CH4/c1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-7(2)6-9(5)8(3)4;1-4-5-6-7(2)3;/h8-10H,4-7H2,1-3H3;9-10H,3-8H2,1-2H3;7-9H,6H2,1-5H3;7H,4-6H2,1-3H3;1H4.
What are the key properties of methane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane?
methane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane has a molecular weight of 525.05 g/mol, XLogP of 13.87, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane is sourced from PubChem (CID 159178653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).