1-methoxy-2-methylbutane;3-methylheptane

C14H32O — CID 142829419

IUPAC1-methoxy-2-methylbutane;3-methylheptane
SMILESCCC(C)COC.CCCCC(C)CC
InChIInChI=1S/C8H18.C6H14O/c1-4-6-7-8(3)5-2;1-4-6(2)5-7-3/h8H,4-7H2,1-3H3;6H,4-5H2,1-3H3
InChIKeySLVCGBMLIUWJIR-UHFFFAOYSA-N
MW216.41 g/mol
LogP4.90
Rot. Bonds7

About 1-methoxy-2-methylbutane;3-methylheptane

1-methoxy-2-methylbutane;3-methylheptane (PubChem CID 142829419) has the molecular formula C14H32O and a molecular weight of 216.41 g/mol. Its IUPAC name is 1-methoxy-2-methylbutane;3-methylheptane.

Molecular Properties

Compound Name1-methoxy-2-methylbutane;3-methylheptane
PubChem CID142829419
Molecular FormulaC14H32O
Molecular Weight216.41 g/mol
Exact Mass216.25
IUPAC Name1-methoxy-2-methylbutane;3-methylheptane
SMILESCCC(C)COC.CCCCC(C)CC
InChIInChI=1S/C8H18.C6H14O/c1-4-6-7-8(3)5-2;1-4-6(2)5-7-3/h8H,4-7H2,1-3H3;6H,4-5H2,1-3H3
InChIKeySLVCGBMLIUWJIR-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylbutane;3-methylheptane?
The IUPAC name of 1-methoxy-2-methylbutane;3-methylheptane (CID 142829419) is 1-methoxy-2-methylbutane;3-methylheptane.
What is the SMILES notation for 1-methoxy-2-methylbutane;3-methylheptane?
The canonical SMILES for 1-methoxy-2-methylbutane;3-methylheptane is CCC(C)COC.CCCCC(C)CC.
What is the InChIKey of 1-methoxy-2-methylbutane;3-methylheptane?
The InChIKey is SLVCGBMLIUWJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C6H14O/c1-4-6-7-8(3)5-2;1-4-6(2)5-7-3/h8H,4-7H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of 1-methoxy-2-methylbutane;3-methylheptane?
1-methoxy-2-methylbutane;3-methylheptane has a molecular weight of 216.41 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylbutane;3-methylheptane is sourced from PubChem (CID 142829419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).