3-(methoxymethyl)-3-methylheptane

C10H22O — CID 91024730

IUPAC3-(methoxymethyl)-3-methylheptane
SMILESCCCCC(C)(CC)COC
InChIInChI=1S/C10H22O/c1-5-7-8-10(3,6-2)9-11-4/h5-9H2,1-4H3
InChIKeyIHDJSFHQBJNAFA-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds6

About 3-(methoxymethyl)-3-methylheptane

3-(methoxymethyl)-3-methylheptane (PubChem CID 91024730) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3-(methoxymethyl)-3-methylheptane.

Molecular Properties

Compound Name3-(methoxymethyl)-3-methylheptane
PubChem CID91024730
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3-(methoxymethyl)-3-methylheptane
SMILESCCCCC(C)(CC)COC
InChIInChI=1S/C10H22O/c1-5-7-8-10(3,6-2)9-11-4/h5-9H2,1-4H3
InChIKeyIHDJSFHQBJNAFA-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-bis(methoxymethyl)-3,5-dimethylheptane
CID 21036025
(2-ethyl-2-methylhexyl) acetate
CID 90020501
5-ethyl-5-methylundecane
CID 57491570
4-ethyl-4-methyloctane;propane
CID 176660925
5-ethyl-5-methylhenicosane
CID 86034991
5-ethyl-5-methylhentetracontane
CID 123896152
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldodecane
CID 56619966
3-ethyl-3-methyldecane
CID 545661
5-ethyl-1,3-dimethoxy-5-methylnonane
CID 150613222
(2S)-2-ethyl-2-methyl-N-methylsulfanylhexan-1-amine
CID 163681640
2-(methoxymethyl)-2-methylpentan-1-amine
CID 103984443

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-3-methylheptane?
The IUPAC name of 3-(methoxymethyl)-3-methylheptane (CID 91024730) is 3-(methoxymethyl)-3-methylheptane.
What is the SMILES notation for 3-(methoxymethyl)-3-methylheptane?
The canonical SMILES for 3-(methoxymethyl)-3-methylheptane is CCCCC(C)(CC)COC.
What is the InChIKey of 3-(methoxymethyl)-3-methylheptane?
The InChIKey is IHDJSFHQBJNAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-5-7-8-10(3,6-2)9-11-4/h5-9H2,1-4H3.
What are the key properties of 3-(methoxymethyl)-3-methylheptane?
3-(methoxymethyl)-3-methylheptane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-3-methylheptane is sourced from PubChem (CID 91024730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).