1-(1-methoxypropan-2-yloxy)-3-methylpentane

C10H22O2 — CID 89074745

IUPAC1-(1-methoxypropan-2-yloxy)-3-methylpentane
SMILESCCC(C)CCOC(C)COC
InChIInChI=1S/C10H22O2/c1-5-9(2)6-7-12-10(3)8-11-4/h9-10H,5-8H2,1-4H3
InChIKeyUWOWWRVLVXAOJM-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.47
Rot. Bonds7

About 1-(1-methoxypropan-2-yloxy)-3-methylpentane

1-(1-methoxypropan-2-yloxy)-3-methylpentane (PubChem CID 89074745) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-methylpentane.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-methylpentane
PubChem CID89074745
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-methylpentane
SMILESCCC(C)CCOC(C)COC
InChIInChI=1S/C10H22O2/c1-5-9(2)6-7-12-10(3)8-11-4/h9-10H,5-8H2,1-4H3
InChIKeyUWOWWRVLVXAOJM-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-methylpentane?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-methylpentane (CID 89074745) is 1-(1-methoxypropan-2-yloxy)-3-methylpentane.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-methylpentane?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-methylpentane is CCC(C)CCOC(C)COC.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-methylpentane?
The InChIKey is UWOWWRVLVXAOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-9(2)6-7-12-10(3)8-11-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-methylpentane?
1-(1-methoxypropan-2-yloxy)-3-methylpentane has a molecular weight of 174.28 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-3-methylpentane is sourced from PubChem (CID 89074745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).