3,5-diethyl-4,4-bis(methoxymethyl)heptane

C15H32O2 — CID 90169994

IUPAC3,5-diethyl-4,4-bis(methoxymethyl)heptane
SMILESCCC(CC)C(COC)(COC)C(CC)CC
InChIInChI=1S/C15H32O2/c1-7-13(8-2)15(11-16-5,12-17-6)14(9-3)10-4/h13-14H,7-12H2,1-6H3
InChIKeyKCFSKIUSQUZFOH-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.14
Rot. Bonds10

About 3,5-diethyl-4,4-bis(methoxymethyl)heptane

3,5-diethyl-4,4-bis(methoxymethyl)heptane (PubChem CID 90169994) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 3,5-diethyl-4,4-bis(methoxymethyl)heptane.

Molecular Properties

Compound Name3,5-diethyl-4,4-bis(methoxymethyl)heptane
PubChem CID90169994
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name3,5-diethyl-4,4-bis(methoxymethyl)heptane
SMILESCCC(CC)C(COC)(COC)C(CC)CC
InChIInChI=1S/C15H32O2/c1-7-13(8-2)15(11-16-5,12-17-6)14(9-3)10-4/h13-14H,7-12H2,1-6H3
InChIKeyKCFSKIUSQUZFOH-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-diethyl-4,4-bis(methoxymethyl)heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methoxymethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 139652134
3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane
CID 22372611
3,4-diethyl-3,4-bis(methoxymethyl)hexane
CID 22153406
3,3-bis(methoxymethyl)-2-methylpentane
CID 89106557
2,2-difluoro-1-methoxy-4-methylhexane
CID 162613341
1-methoxy-2,2-dimethylpropane
CID 160639316
[1-dimethylphosphanyl-3-methoxy-2-(methoxymethyl)-2-methylpropyl]-dimethylphosphane
CID 57152976
3,5-bis(methoxymethyl)-3,5-dimethylheptane
CID 21036025
1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane
CID 171725386
1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane
CID 86682667
3,5-diethyl-4,4-difluoroheptane
CID 137390783
2,2-dichloro-1,3-dimethoxypropane
CID 19985363

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4,4-bis(methoxymethyl)heptane?
The IUPAC name of 3,5-diethyl-4,4-bis(methoxymethyl)heptane (CID 90169994) is 3,5-diethyl-4,4-bis(methoxymethyl)heptane.
What is the SMILES notation for 3,5-diethyl-4,4-bis(methoxymethyl)heptane?
The canonical SMILES for 3,5-diethyl-4,4-bis(methoxymethyl)heptane is CCC(CC)C(COC)(COC)C(CC)CC.
What is the InChIKey of 3,5-diethyl-4,4-bis(methoxymethyl)heptane?
The InChIKey is KCFSKIUSQUZFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-7-13(8-2)15(11-16-5,12-17-6)14(9-3)10-4/h13-14H,7-12H2,1-6H3.
What are the key properties of 3,5-diethyl-4,4-bis(methoxymethyl)heptane?
3,5-diethyl-4,4-bis(methoxymethyl)heptane has a molecular weight of 244.42 g/mol, XLogP of 4.14, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4,4-bis(methoxymethyl)heptane is sourced from PubChem (CID 90169994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).