methane;1-methoxy-2-methylbutane;3-methoxypentane

C18H52O2 — CID 160866312

IUPACmethane;1-methoxy-2-methylbutane;3-methoxypentane
SMILESC.C.C.C.C.C.CCC(C)COC.CCC(CC)OC
InChIInChI=1S/2C6H14O.6CH4/c1-4-6(2)5-7-3;1-4-6(5-2)7-3;;;;;;/h2*6H,4-5H2,1-3H3;6*1H4
InChIKeySLDVPDYMWYIUIR-UHFFFAOYSA-N
MW300.61 g/mol
LogP7.32
Rot. Bonds6

About methane;1-methoxy-2-methylbutane;3-methoxypentane

methane;1-methoxy-2-methylbutane;3-methoxypentane (PubChem CID 160866312) has the molecular formula C18H52O2 and a molecular weight of 300.61 g/mol. Its IUPAC name is methane;1-methoxy-2-methylbutane;3-methoxypentane.

Molecular Properties

Compound Namemethane;1-methoxy-2-methylbutane;3-methoxypentane
PubChem CID160866312
Molecular FormulaC18H52O2
Molecular Weight300.61 g/mol
Exact Mass300.40
IUPAC Namemethane;1-methoxy-2-methylbutane;3-methoxypentane
SMILESC.C.C.C.C.C.CCC(C)COC.CCC(CC)OC
InChIInChI=1S/2C6H14O.6CH4/c1-4-6(2)5-7-3;1-4-6(5-2)7-3;;;;;;/h2*6H,4-5H2,1-3H3;6*1H4
InChIKeySLDVPDYMWYIUIR-UHFFFAOYSA-N
XLogP7.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.61
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methane;1-methoxy-2-methylbutane
CID 159281556
ethane;1-methoxy-2-methylbutane;propane
CID 143686071
methane;3-methoxyheptane;1-methoxy-2-methylhexane
CID 162176457
1,2-dimethoxy-4-methylhexane
CID 123627097
3-methoxypentane;1-methoxypropane
CID 54391478
1,2-dimethoxybutane;1,2-dimethoxypropane
CID 91039470
2-methyl-1-(2-methylbutoxy)butane
CID 4584641
2-methyl-1-pentan-3-yloxybutane
CID 23377308
1-methoxy-2,22-dimethyltetracosane
CID 86173032
butan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane
CID 160861824
1,2-dimethoxybutane;1,3-dimethoxy-2-methylpropane;methane;2-methoxybutan-1-ol;3-methoxy-2-methylpropan-1-ol;3-methoxypentan-2-one
CID 159413366
1-methoxy-2,4,5-trimethylheptane
CID 177138936

Frequently Asked Questions

What is the IUPAC name of methane;1-methoxy-2-methylbutane;3-methoxypentane?
The IUPAC name of methane;1-methoxy-2-methylbutane;3-methoxypentane (CID 160866312) is methane;1-methoxy-2-methylbutane;3-methoxypentane.
What is the SMILES notation for methane;1-methoxy-2-methylbutane;3-methoxypentane?
The canonical SMILES for methane;1-methoxy-2-methylbutane;3-methoxypentane is C.C.C.C.C.C.CCC(C)COC.CCC(CC)OC.
What is the InChIKey of methane;1-methoxy-2-methylbutane;3-methoxypentane?
The InChIKey is SLDVPDYMWYIUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14O.6CH4/c1-4-6(2)5-7-3;1-4-6(5-2)7-3;;;;;;/h2*6H,4-5H2,1-3H3;6*1H4.
What are the key properties of methane;1-methoxy-2-methylbutane;3-methoxypentane?
methane;1-methoxy-2-methylbutane;3-methoxypentane has a molecular weight of 300.61 g/mol, XLogP of 7.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methoxy-2-methylbutane;3-methoxypentane is sourced from PubChem (CID 160866312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).