2,2-dimethylpropane;methylcyclohexane;methylcyclopentane;methylcyclopropane;4-methyloxane;3-methylpentane;2-methylpropane

C38H82O — CID 159754047

IUPAC2,2-dimethylpropane;methylcyclohexane;methylcyclopentane;methylcyclopropane;4-methyloxane;3-methylpentane;2-methylpropane
SMILESCC(C)(C)C.CC(C)C.CC1CC1.CC1CCCC1.CC1CCCCC1.CC1CCOCC1.CCC(C)CC
InChIInChI=1S/C7H14.C6H12O.C6H12.C6H14.C5H12.C4H8.C4H10/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-4-6(3)5-2;1-5(2,3)4;1-4-2-3-4;1-4(2)3/h7H,2-6H2,1H3;6H,2-5H2,1H3;6H,2-5H2,1H3;6H,4-5H2,1-3H3;1-4H3;4H,2-3H2,1H3;4H,1-3H3
InChIKeyNEAGYUBGCCPCBJ-UHFFFAOYSA-N
MW555.07 g/mol
LogP13.79
Rot. Bonds2

About 2,2-dimethylpropane;methylcyclohexane;methylcyclopentane;methylcyclopropane;4-methyloxane;3-methylpentane;2-methylpropane

2,2-dimethylpropane;methylcyclohexane;methylcyclopentane;methylcyclopropane;4-methyloxane;3-methylpentane;2-methylpropane (PubChem CID 159754047) has the molecular formula C38H82O and a molecular weight of 555.07 g/mol. Its IUPAC name is 2,2-dimethylpropane;methylcyclohexane;methylcyclopentane;methylcyclopropane;4-methyloxane;3-methylpentane;2-methylpropane.

Molecular Properties

Compound Name2,2-dimethylpropane;methylcyclohexane;methylcyclopentane;methylcyclopropane;4-methyloxane;3-methylpentane;2-methylpropane
PubChem CID159754047
Molecular FormulaC38H82O
Molecular Weight555.07 g/mol
Exact Mass554.64
IUPAC Name2,2-dimethylpropane;methylcyclohexane;methylcyclopentane;methylcyclopropane;4-methyloxane;3-methylpentane;2-methylpropane
SMILESCC(C)(C)C.CC(C)C.CC1CC1.CC1CCCC1.CC1CCCCC1.CC1CCOCC1.CCC(C)CC
InChIInChI=1S/C7H14.C6H12O.C6H12.C6H14.C5H12.C4H8.C4H10/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-4-6(3)5-2;1-5(2,3)4;1-4-2-3-4;1-4(2)3/h7H,2-6H2,1H3;6H,2-5H2,1H3;6H,2-5H2,1H3;6H,4-5H2,1-3H3;1-4H3;4H,2-3H2,1H3;4H,1-3H3
InChIKeyNEAGYUBGCCPCBJ-UHFFFAOYSA-N
XLogP13.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.07
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethylpropane;methylcyclohexane;methylcyclopentane;methylcyclopropane;4-methyloxane;3-methylpentane;2-methylpropane with MolForge

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Related Compounds

butane;2,2-dimethylpropane;ethane;heptane;methane;bis(2-methylbutane);methylcyclohexane;2-methylpropane;pentane;propane
CID 160602933
1,4-dimethylcyclohexane;3-methylpentane;propane
CID 91316763
cyclohexane;4-methyloxane
CID 144563977
ethane;methylcyclohexane;oxane
CID 143182173
butane;methylcyclopentane
CID 142053859
butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane
CID 160734051
butane;2,2-dimethylpropane;ethane;heptane;methane;bis(2-methylbutane);methylcyclohexane;2-methylpropane;pentane;propane;toluene
CID 158721160
methane;methylcyclohexane;propane
CID 143031585
methanamine;4-methyloxane
CID 139388754
cyclohexane;methylcyclopentane
CID 20788572
1,6-dimethylcycloundecane
CID 91298161
cyclohexane;cyclopentane;ethylcyclopropane;methanol;2-methylbutane;methylcyclobutane;methylcyclopentane;methylcyclopropane
CID 174801862

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;methylcyclohexane;methylcyclopentane;methylcyclopropane;4-methyloxane;3-methylpentane;2-methylpropane?
The IUPAC name of 2,2-dimethylpropane;methylcyclohexane;methylcyclopentane;methylcyclopropane;4-methyloxane;3-methylpentane;2-methylpropane (CID 159754047) is 2,2-dimethylpropane;methylcyclohexane;methylcyclopentane;methylcyclopropane;4-methyloxane;3-methylpentane;2-methylpropane.
What is the SMILES notation for 2,2-dimethylpropane;methylcyclohexane;methylcyclopentane;methylcyclopropane;4-methyloxane;3-methylpentane;2-methylpropane?
The canonical SMILES for 2,2-dimethylpropane;methylcyclohexane;methylcyclopentane;methylcyclopropane;4-methyloxane;3-methylpentane;2-methylpropane is CC(C)(C)C.CC(C)C.CC1CC1.CC1CCCC1.CC1CCCCC1.CC1CCOCC1.CCC(C)CC.
What is the InChIKey of 2,2-dimethylpropane;methylcyclohexane;methylcyclopentane;methylcyclopropane;4-methyloxane;3-methylpentane;2-methylpropane?
The InChIKey is NEAGYUBGCCPCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C6H12O.C6H12.C6H14.C5H12.C4H8.C4H10/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-4-6(3)5-2;1-5(2,3)4;1-4-2-3-4;1-4(2)3/h7H,2-6H2,1H3;6H,2-5H2,1H3;6H,2-5H2,1H3;6H,4-5H2,1-3H3;1-4H3;4H,2-3H2,1H3;4H,1-3H3.
What are the key properties of 2,2-dimethylpropane;methylcyclohexane;methylcyclopentane;methylcyclopropane;4-methyloxane;3-methylpentane;2-methylpropane?
2,2-dimethylpropane;methylcyclohexane;methylcyclopentane;methylcyclopropane;4-methyloxane;3-methylpentane;2-methylpropane has a molecular weight of 555.07 g/mol, XLogP of 13.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;methylcyclohexane;methylcyclopentane;methylcyclopropane;4-methyloxane;3-methylpentane;2-methylpropane is sourced from PubChem (CID 159754047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).