3-(methoxymethyl)-4-methylheptan-3-ol

C10H22O2 — CID 107892647

IUPAC3-(methoxymethyl)-4-methylheptan-3-ol
SMILESCCCC(C)C(O)(CC)COC
InChIInChI=1S/C10H22O2/c1-5-7-9(3)10(11,6-2)8-12-4/h9,11H,5-8H2,1-4H3
InChIKeyXAUHTXHEQBVGMS-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.21
Rot. Bonds6

About 3-(methoxymethyl)-4-methylheptan-3-ol

3-(methoxymethyl)-4-methylheptan-3-ol (PubChem CID 107892647) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3-(methoxymethyl)-4-methylheptan-3-ol.

Molecular Properties

Compound Name3-(methoxymethyl)-4-methylheptan-3-ol
PubChem CID107892647
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3-(methoxymethyl)-4-methylheptan-3-ol
SMILESCCCC(C)C(O)(CC)COC
InChIInChI=1S/C10H22O2/c1-5-7-9(3)10(11,6-2)8-12-4/h9,11H,5-8H2,1-4H3
InChIKeyXAUHTXHEQBVGMS-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(methoxymethyl)-4-methylheptan-3-ol 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

ethyl 3-hydroxy-3-(methoxymethyl)-2-propylpentanoate
CID 83042580
4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol
CID 165443184
3-ethyl-4-methyldodecan-3-ol
CID 173066950
3-(methoxymethyl)-6-methylheptan-3-ol
CID 65149499
[1-methoxy-2-(methoxymethyl)-3-methylhexan-2-yl]cyclopentane
CID 90169995
4-fluoro-4-(methoxymethyl)-5-methyloctan-1-amine
CID 107889807
ethyl-dimethyl-(3,3,4-trimethylheptan-2-yl)azanium
CID 123269086
1-methoxy-2,6-dimethylheptan-2-ol
CID 83158619
4-(aminomethyl)-3-ethylheptan-3-ol
CID 79416340
3,3-bis(methoxymethyl)-2-methylpentane
CID 89106557
3,3-difluoro-4-methylheptane
CID 146477960
(E)-7-chloro-3-ethyl-4-methylnon-7-en-3-ol
CID 143524878

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-4-methylheptan-3-ol?
The IUPAC name of 3-(methoxymethyl)-4-methylheptan-3-ol (CID 107892647) is 3-(methoxymethyl)-4-methylheptan-3-ol.
What is the SMILES notation for 3-(methoxymethyl)-4-methylheptan-3-ol?
The canonical SMILES for 3-(methoxymethyl)-4-methylheptan-3-ol is CCCC(C)C(O)(CC)COC.
What is the InChIKey of 3-(methoxymethyl)-4-methylheptan-3-ol?
The InChIKey is XAUHTXHEQBVGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-7-9(3)10(11,6-2)8-12-4/h9,11H,5-8H2,1-4H3.
What are the key properties of 3-(methoxymethyl)-4-methylheptan-3-ol?
3-(methoxymethyl)-4-methylheptan-3-ol has a molecular weight of 174.28 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-4-methylheptan-3-ol is sourced from PubChem (CID 107892647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).