4-methoxy-4-(methoxymethyl)heptane

C10H22O2 — CID 174395749

IUPAC4-methoxy-4-(methoxymethyl)heptane
SMILESCCCC(CCC)(COC)OC
InChIInChI=1S/C10H22O2/c1-5-7-10(12-4,8-6-2)9-11-3/h5-9H2,1-4H3
InChIKeyGBBXTIFJWNJMPJ-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.62
Rot. Bonds7

About 4-methoxy-4-(methoxymethyl)heptane

4-methoxy-4-(methoxymethyl)heptane (PubChem CID 174395749) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 4-methoxy-4-(methoxymethyl)heptane.

Molecular Properties

Compound Name4-methoxy-4-(methoxymethyl)heptane
PubChem CID174395749
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name4-methoxy-4-(methoxymethyl)heptane
SMILESCCCC(CCC)(COC)OC
InChIInChI=1S/C10H22O2/c1-5-7-10(12-4,8-6-2)9-11-3/h5-9H2,1-4H3
InChIKeyGBBXTIFJWNJMPJ-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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Related Compounds

1-methoxy-2,2-dimethylpentane
CID 57120820
10-methoxy-10-propylicosane
CID 158279749
10-methoxy-10-propyltricosane
CID 159618690
O-[2,3-dimethoxy-2-(methoxymethyl)propyl]hydroxylamine
CID 144742456
2-(methoxymethyl)-N,N-dimethyl-2-propylpentan-1-amine
CID 71361648
3-methoxy-3-propyloctan-1-ol
CID 142753036
5-methoxy-5-(3-methoxypropyl)nonane
CID 141413448
2-(methoxymethyl)-2-methylpentan-1-amine
CID 103984443
11-methoxy-11-nonyltetracosane
CID 159441841
2-(methoxymethyl)-2-methylpentanenitrile
CID 139652436
1,2,2-trimethoxyundecane
CID 151416745
2-(2-butyl-2-methoxyhexoxy)ethanol
CID 87656063

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-(methoxymethyl)heptane?
The IUPAC name of 4-methoxy-4-(methoxymethyl)heptane (CID 174395749) is 4-methoxy-4-(methoxymethyl)heptane.
What is the SMILES notation for 4-methoxy-4-(methoxymethyl)heptane?
The canonical SMILES for 4-methoxy-4-(methoxymethyl)heptane is CCCC(CCC)(COC)OC.
What is the InChIKey of 4-methoxy-4-(methoxymethyl)heptane?
The InChIKey is GBBXTIFJWNJMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-7-10(12-4,8-6-2)9-11-3/h5-9H2,1-4H3.
What are the key properties of 4-methoxy-4-(methoxymethyl)heptane?
4-methoxy-4-(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 4-methoxy-4-(methoxymethyl)heptane is sourced from PubChem (CID 174395749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).