2,6-dimethylheptan-2-ol;2,4-dimethylpentane;ethane;bis(2-fluoro-4-methylpentane);bis(2-methylbutane);2-methylpentane;1-(4-methylpentyl)cyclopentan-1-ol;2-methylpropane

C61H138F2O2 — CID 162209742

IUPAC2,6-dimethylheptan-2-ol;2,4-dimethylpentane;ethane;bis(2-fluoro-4-methylpentane);bis(2-methylbutane);2-methylpentane;1-(4-methylpentyl)cyclopentan-1-ol;2-methylpropane
SMILESCC.CC(C)C.CC(C)CC(C)C.CC(C)CC(C)F.CC(C)CC(C)F.CC(C)CCCC(C)(C)O.CC(C)CCCC1(O)CCCC1.CCC(C)C.CCC(C)C.CCCC(C)C
InChIInChI=1S/C11H22O.C9H20O.C7H16.2C6H13F.C6H14.2C5H12.C4H10.C2H6/c1-10(2)6-5-9-11(12)7-3-4-8-11;1-8(2)6-5-7-9(3,4)10;1-6(2)5-7(3)4;2*1-5(2)4-6(3)7;1-4-5-6(2)3;2*1-4-5(2)3;1-4(2)3;1-2/h10,12H,3-9H2,1-2H3;8,10H,5-7H2,1-4H3;6-7H,5H2,1-4H3;2*5-6H,4H2,1-3H3;6H,4-5H2,1-3H3;2*5H,4H2,1-3H3;4H,1-3H3;1-2H3
InChIKeyZSRKXACYFLHWIW-UHFFFAOYSA-N
MW941.77 g/mol
LogP22.41
Rot. Bonds18

About 2,6-dimethylheptan-2-ol;2,4-dimethylpentane;ethane;bis(2-fluoro-4-methylpentane);bis(2-methylbutane);2-methylpentane;1-(4-methylpentyl)cyclopentan-1-ol;2-methylpropane

2,6-dimethylheptan-2-ol;2,4-dimethylpentane;ethane;bis(2-fluoro-4-methylpentane);bis(2-methylbutane);2-methylpentane;1-(4-methylpentyl)cyclopentan-1-ol;2-methylpropane (PubChem CID 162209742) has the molecular formula C61H138F2O2 and a molecular weight of 941.77 g/mol. Its IUPAC name is 2,6-dimethylheptan-2-ol;2,4-dimethylpentane;ethane;bis(2-fluoro-4-methylpentane);bis(2-methylbutane);2-methylpentane;1-(4-methylpentyl)cyclopentan-1-ol;2-methylpropane.

Molecular Properties

Compound Name2,6-dimethylheptan-2-ol;2,4-dimethylpentane;ethane;bis(2-fluoro-4-methylpentane);bis(2-methylbutane);2-methylpentane;1-(4-methylpentyl)cyclopentan-1-ol;2-methylpropane
PubChem CID162209742
Molecular FormulaC61H138F2O2
Molecular Weight941.77 g/mol
Exact Mass941.07
IUPAC Name2,6-dimethylheptan-2-ol;2,4-dimethylpentane;ethane;bis(2-fluoro-4-methylpentane);bis(2-methylbutane);2-methylpentane;1-(4-methylpentyl)cyclopentan-1-ol;2-methylpropane
SMILESCC.CC(C)C.CC(C)CC(C)C.CC(C)CC(C)F.CC(C)CC(C)F.CC(C)CCCC(C)(C)O.CC(C)CCCC1(O)CCCC1.CCC(C)C.CCC(C)C.CCCC(C)C
InChIInChI=1S/C11H22O.C9H20O.C7H16.2C6H13F.C6H14.2C5H12.C4H10.C2H6/c1-10(2)6-5-9-11(12)7-3-4-8-11;1-8(2)6-5-7-9(3,4)10;1-6(2)5-7(3)4;2*1-5(2)4-6(3)7;1-4-5-6(2)3;2*1-4-5(2)3;1-4(2)3;1-2/h10,12H,3-9H2,1-2H3;8,10H,5-7H2,1-4H3;6-7H,5H2,1-4H3;2*5-6H,4H2,1-3H3;6H,4-5H2,1-3H3;2*5H,4H2,1-3H3;4H,1-3H3;1-2H3
InChIKeyZSRKXACYFLHWIW-UHFFFAOYSA-N
XLogP22.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.77
LogP ≤ 522.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-dimethylheptan-2-ol;2,4-dimethylpentane;ethane;bis(2-fluoro-4-methylpentane);bis(2-methylbutane);2-methylpentane;1-(4-methylpentyl)cyclopentan-1-ol;2-methylpropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylheptan-2-ol;2,4-dimethylpentane;ethane;bis(2-fluoro-4-methylpentane);bis(2-methylbutane);2-methylpentane;1-(4-methylpentyl)cyclopentan-1-ol;2-methylpropane?
The IUPAC name of 2,6-dimethylheptan-2-ol;2,4-dimethylpentane;ethane;bis(2-fluoro-4-methylpentane);bis(2-methylbutane);2-methylpentane;1-(4-methylpentyl)cyclopentan-1-ol;2-methylpropane (CID 162209742) is 2,6-dimethylheptan-2-ol;2,4-dimethylpentane;ethane;bis(2-fluoro-4-methylpentane);bis(2-methylbutane);2-methylpentane;1-(4-methylpentyl)cyclopentan-1-ol;2-methylpropane.
What is the SMILES notation for 2,6-dimethylheptan-2-ol;2,4-dimethylpentane;ethane;bis(2-fluoro-4-methylpentane);bis(2-methylbutane);2-methylpentane;1-(4-methylpentyl)cyclopentan-1-ol;2-methylpropane?
The canonical SMILES for 2,6-dimethylheptan-2-ol;2,4-dimethylpentane;ethane;bis(2-fluoro-4-methylpentane);bis(2-methylbutane);2-methylpentane;1-(4-methylpentyl)cyclopentan-1-ol;2-methylpropane is CC.CC(C)C.CC(C)CC(C)C.CC(C)CC(C)F.CC(C)CC(C)F.CC(C)CCCC(C)(C)O.CC(C)CCCC1(O)CCCC1.CCC(C)C.CCC(C)C.CCCC(C)C.
What is the InChIKey of 2,6-dimethylheptan-2-ol;2,4-dimethylpentane;ethane;bis(2-fluoro-4-methylpentane);bis(2-methylbutane);2-methylpentane;1-(4-methylpentyl)cyclopentan-1-ol;2-methylpropane?
The InChIKey is ZSRKXACYFLHWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O.C9H20O.C7H16.2C6H13F.C6H14.2C5H12.C4H10.C2H6/c1-10(2)6-5-9-11(12)7-3-4-8-11;1-8(2)6-5-7-9(3,4)10;1-6(2)5-7(3)4;2*1-5(2)4-6(3)7;1-4-5-6(2)3;2*1-4-5(2)3;1-4(2)3;1-2/h10,12H,3-9H2,1-2H3;8,10H,5-7H2,1-4H3;6-7H,5H2,1-4H3;2*5-6H,4H2,1-3H3;6H,4-5H2,1-3H3;2*5H,4H2,1-3H3;4H,1-3H3;1-2H3.
What are the key properties of 2,6-dimethylheptan-2-ol;2,4-dimethylpentane;ethane;bis(2-fluoro-4-methylpentane);bis(2-methylbutane);2-methylpentane;1-(4-methylpentyl)cyclopentan-1-ol;2-methylpropane?
2,6-dimethylheptan-2-ol;2,4-dimethylpentane;ethane;bis(2-fluoro-4-methylpentane);bis(2-methylbutane);2-methylpentane;1-(4-methylpentyl)cyclopentan-1-ol;2-methylpropane has a molecular weight of 941.77 g/mol, XLogP of 22.41, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylheptan-2-ol;2,4-dimethylpentane;ethane;bis(2-fluoro-4-methylpentane);bis(2-methylbutane);2-methylpentane;1-(4-methylpentyl)cyclopentan-1-ol;2-methylpropane is sourced from PubChem (CID 162209742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).