3,5-bis(methoxymethyl)-3,5-dimethylheptane

C13H28O2 — CID 21036025

IUPAC3,5-bis(methoxymethyl)-3,5-dimethylheptane
SMILESCCC(C)(COC)CC(C)(CC)COC
InChIInChI=1S/C13H28O2/c1-7-12(3,10-14-5)9-13(4,8-2)11-15-6/h7-11H2,1-6H3
InChIKeyZMYCCNKVZIAXBL-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.50
Rot. Bonds8

About 3,5-bis(methoxymethyl)-3,5-dimethylheptane

3,5-bis(methoxymethyl)-3,5-dimethylheptane (PubChem CID 21036025) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 3,5-bis(methoxymethyl)-3,5-dimethylheptane.

Molecular Properties

Compound Name3,5-bis(methoxymethyl)-3,5-dimethylheptane
PubChem CID21036025
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name3,5-bis(methoxymethyl)-3,5-dimethylheptane
SMILESCCC(C)(COC)CC(C)(CC)COC
InChIInChI=1S/C13H28O2/c1-7-12(3,10-14-5)9-13(4,8-2)11-15-6/h7-11H2,1-6H3
InChIKeyZMYCCNKVZIAXBL-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methoxymethyl)-3-methylheptane
CID 91024730
3,4-diethyl-3,4-bis(methoxymethyl)hexane
CID 22153406
2-(methoxymethyl)-2-methylpentan-1-amine
CID 103984443
1-methoxy-2,2-dimethylpropane
CID 160639316
ethane;3-ethyl-3-methylpentane
CID 158904304
ethane;N-ethyl-1-methoxy-2-methylpropan-2-amine
CID 177317291
1-methoxy-N,N,2-trimethylbutan-2-amine
CID 162379488
1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane
CID 171725386
4-(chloromethyl)-2-methoxy-2,4-dimethylhexane
CID 165442895
1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane
CID 86682667
2,2,3,3-tetrafluoro-1-methoxypentane
CID 168826300
2,2-diethoxy-1-methoxypropane
CID 168868590

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(methoxymethyl)-3,5-dimethylheptane?
The IUPAC name of 3,5-bis(methoxymethyl)-3,5-dimethylheptane (CID 21036025) is 3,5-bis(methoxymethyl)-3,5-dimethylheptane.
What is the SMILES notation for 3,5-bis(methoxymethyl)-3,5-dimethylheptane?
The canonical SMILES for 3,5-bis(methoxymethyl)-3,5-dimethylheptane is CCC(C)(COC)CC(C)(CC)COC.
What is the InChIKey of 3,5-bis(methoxymethyl)-3,5-dimethylheptane?
The InChIKey is ZMYCCNKVZIAXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-7-12(3,10-14-5)9-13(4,8-2)11-15-6/h7-11H2,1-6H3.
What are the key properties of 3,5-bis(methoxymethyl)-3,5-dimethylheptane?
3,5-bis(methoxymethyl)-3,5-dimethylheptane has a molecular weight of 216.36 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(methoxymethyl)-3,5-dimethylheptane is sourced from PubChem (CID 21036025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).