4-methoxy-3-(methoxymethyl)heptane

C10H22O2 — CID 542412

IUPAC4-methoxy-3-(methoxymethyl)heptane
SMILESCCCC(OC)C(CC)COC
InChIInChI=1S/C10H22O2/c1-5-7-10(12-4)9(6-2)8-11-3/h9-10H,5-8H2,1-4H3
InChIKeyPZFVTDFJRNRTJH-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.47
Rot. Bonds7

About 4-methoxy-3-(methoxymethyl)heptane

4-methoxy-3-(methoxymethyl)heptane (PubChem CID 542412) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 4-methoxy-3-(methoxymethyl)heptane.

Molecular Properties

Compound Name4-methoxy-3-(methoxymethyl)heptane
PubChem CID542412
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name4-methoxy-3-(methoxymethyl)heptane
SMILESCCCC(OC)C(CC)COC
InChIInChI=1S/C10H22O2/c1-5-7-10(12-4)9(6-2)8-11-3/h9-10H,5-8H2,1-4H3
InChIKeyPZFVTDFJRNRTJH-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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Related Compounds

2-Ethyl-1,3-Hexanediol
CID 7211
2-Ethylhexyl glycidyl ether
CID 17162
3-Methyl-2,4-heptanediol
CID 248872
1-Methoxy-4-methylcyclohexane
CID 6336264
5-Methylheptane-2,4-diol
CID 21648709
2-Ethyl-1-hexanol, methyl ether
CID 14795002
6-Methyl-2-heptanol, methyl ether
CID 22151529
3-((1,1-Dimethylethoxy)methyl)heptane
CID 545858
5-Ethyl-3-methylheptane-2,4-diol
CID 247485
3-Methoxy-4-methylheptane
CID 89207464
rel-(2R,3S)-2-Ethyl-1,3-hexanediol
CID 7057924
(3R,4R)-3-methoxy-2,4,6-trimethylheptane
CID 639326

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(methoxymethyl)heptane?
The IUPAC name of 4-methoxy-3-(methoxymethyl)heptane (CID 542412) is 4-methoxy-3-(methoxymethyl)heptane.
What is the SMILES notation for 4-methoxy-3-(methoxymethyl)heptane?
The canonical SMILES for 4-methoxy-3-(methoxymethyl)heptane is CCCC(OC)C(CC)COC.
What is the InChIKey of 4-methoxy-3-(methoxymethyl)heptane?
The InChIKey is PZFVTDFJRNRTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-7-10(12-4)9(6-2)8-11-3/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-methoxy-3-(methoxymethyl)heptane?
4-methoxy-3-(methoxymethyl)heptane 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 4-methoxy-3-(methoxymethyl)heptane is sourced from PubChem (CID 542412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).