3-methoxy-3-(methoxymethyl)heptane

C10H22O2 — CID 87098372

IUPAC3-methoxy-3-(methoxymethyl)heptane
SMILESCCCCC(CC)(COC)OC
InChIInChI=1S/C10H22O2/c1-5-7-8-10(6-2,12-4)9-11-3/h5-9H2,1-4H3
InChIKeyFSNIIGHPVWFPRT-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.62
Rot. Bonds7

About 3-methoxy-3-(methoxymethyl)heptane

3-methoxy-3-(methoxymethyl)heptane (PubChem CID 87098372) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3-methoxy-3-(methoxymethyl)heptane.

Molecular Properties

Compound Name3-methoxy-3-(methoxymethyl)heptane
PubChem CID87098372
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3-methoxy-3-(methoxymethyl)heptane
SMILESCCCCC(CC)(COC)OC
InChIInChI=1S/C10H22O2/c1-5-7-8-10(6-2,12-4)9-11-3/h5-9H2,1-4H3
InChIKeyFSNIIGHPVWFPRT-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(methoxymethyl)heptane?
The IUPAC name of 3-methoxy-3-(methoxymethyl)heptane (CID 87098372) is 3-methoxy-3-(methoxymethyl)heptane.
What is the SMILES notation for 3-methoxy-3-(methoxymethyl)heptane?
The canonical SMILES for 3-methoxy-3-(methoxymethyl)heptane is CCCCC(CC)(COC)OC.
What is the InChIKey of 3-methoxy-3-(methoxymethyl)heptane?
The InChIKey is FSNIIGHPVWFPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-7-8-10(6-2,12-4)9-11-3/h5-9H2,1-4H3.
What are the key properties of 3-methoxy-3-(methoxymethyl)heptane?
3-methoxy-3-(methoxymethyl)heptane has a molecular weight of 174.28 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(methoxymethyl)heptane is sourced from PubChem (CID 87098372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).