2-hexan-2-yloxy-5-methylhexane

C13H28O — CID 91272362

IUPAC2-hexan-2-yloxy-5-methylhexane
SMILESCCCCC(C)OC(C)CCC(C)C
InChIInChI=1S/C13H28O/c1-6-7-8-12(4)14-13(5)10-9-11(2)3/h11-13H,6-10H2,1-5H3
InChIKeyADLVNZVLFIJJOS-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.41
Rot. Bonds8

About 2-hexan-2-yloxy-5-methylhexane

2-hexan-2-yloxy-5-methylhexane (PubChem CID 91272362) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-hexan-2-yloxy-5-methylhexane.

Molecular Properties

Compound Name2-hexan-2-yloxy-5-methylhexane
PubChem CID91272362
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name2-hexan-2-yloxy-5-methylhexane
SMILESCCCCC(C)OC(C)CCC(C)C
InChIInChI=1S/C13H28O/c1-6-7-8-12(4)14-13(5)10-9-11(2)3/h11-13H,6-10H2,1-5H3
InChIKeyADLVNZVLFIJJOS-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-8-(8-methylnonan-2-yloxy)nonane
CID 175712820
2-methylhexane;propane
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2-methylhexane;dihydrate
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2-methylhexane;hydrochloride
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(5S,6R)-2,5,6-trimethyldecane
CID 154723790
CID 91544051
CID 91544051
ethane;2-methylhexane;propane
CID 144516512
ethane;hexane;2-methylhexane
CID 142051007
2-methyl-6-propan-2-yloxyheptane
CID 158226475
ethane;2-methoxyhexane
CID 91199174
2-octan-2-yloxyoctane;propane-1,2-diol
CID 174594083
(Z)-19-[(Z)-icos-11-en-2-yl]oxyicos-9-ene
CID 88819107

Frequently Asked Questions

What is the IUPAC name of 2-hexan-2-yloxy-5-methylhexane?
The IUPAC name of 2-hexan-2-yloxy-5-methylhexane (CID 91272362) is 2-hexan-2-yloxy-5-methylhexane.
What is the SMILES notation for 2-hexan-2-yloxy-5-methylhexane?
The canonical SMILES for 2-hexan-2-yloxy-5-methylhexane is CCCCC(C)OC(C)CCC(C)C.
What is the InChIKey of 2-hexan-2-yloxy-5-methylhexane?
The InChIKey is ADLVNZVLFIJJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-6-7-8-12(4)14-13(5)10-9-11(2)3/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-hexan-2-yloxy-5-methylhexane?
2-hexan-2-yloxy-5-methylhexane has a molecular weight of 200.37 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-2-yloxy-5-methylhexane is sourced from PubChem (CID 91272362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).