2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane

C19H46O2 — CID 158712892

IUPAC2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane
SMILESC.C.CC(C)CC(O)CC(C)C.CC(C)COCC(C)C
InChIInChI=1S/C9H20O.C8H18O.2CH4/c1-7(2)5-9(10)6-8(3)4;1-7(2)5-9-6-8(3)4;;/h7-10H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3;2*1H4
InChIKeyIIYJPNOTXJVXFD-UHFFFAOYSA-N
MW306.57 g/mol
LogP6.03
Rot. Bonds8

About 2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane

2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane (PubChem CID 158712892) has the molecular formula C19H46O2 and a molecular weight of 306.57 g/mol. Its IUPAC name is 2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane.

Molecular Properties

Compound Name2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane
PubChem CID158712892
Molecular FormulaC19H46O2
Molecular Weight306.57 g/mol
Exact Mass306.35
IUPAC Name2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane
SMILESC.C.CC(C)CC(O)CC(C)C.CC(C)COCC(C)C
InChIInChI=1S/C9H20O.C8H18O.2CH4/c1-7(2)5-9(10)6-8(3)4;1-7(2)5-9-6-8(3)4;;/h7-10H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3;2*1H4
InChIKeyIIYJPNOTXJVXFD-UHFFFAOYSA-N
XLogP6.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448685
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
methane;(2R)-4-methylpentan-2-ol
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(2S)-1-chloro-4-methylpentan-2-ol
CID 641049

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane?
The IUPAC name of 2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane (CID 158712892) is 2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane.
What is the SMILES notation for 2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane?
The canonical SMILES for 2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane is C.C.CC(C)CC(O)CC(C)C.CC(C)COCC(C)C.
What is the InChIKey of 2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane?
The InChIKey is IIYJPNOTXJVXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.C8H18O.2CH4/c1-7(2)5-9(10)6-8(3)4;1-7(2)5-9-6-8(3)4;;/h7-10H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3;2*1H4.
What are the key properties of 2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane?
2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane has a molecular weight of 306.57 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane is sourced from PubChem (CID 158712892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).