3-(methoxymethyl)-6-methylheptan-3-ol

C10H22O2 — CID 65149499

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

About 3-(methoxymethyl)-6-methylheptan-3-ol

3-(methoxymethyl)-6-methylheptan-3-ol (PubChem CID 65149499) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3-(methoxymethyl)-6-methylheptan-3-ol.

Molecular Properties

Compound Name3-(methoxymethyl)-6-methylheptan-3-ol
PubChem CID65149499
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3-(methoxymethyl)-6-methylheptan-3-ol
SMILESCCC(O)(CCC(C)C)COC
InChIInChI=1S/C10H22O2/c1-5-10(11,8-12-4)7-6-9(2)3/h9,11H,5-8H2,1-4H3
InChIKeyRVCIQGIBPOLHCR-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

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Related Compounds

1-methoxy-2,6-dimethylheptan-2-ol
CID 83158619
1-methoxy-2,5-dimethylhexan-2-amine
CID 62619989
3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol
CID 170393196
3-(methoxymethyl)-4-methylheptan-3-ol
CID 107892647
5-ethyl-2-methylheptane-1,5-diol
CID 174921855
3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane
CID 22373213
2,5,8-trimethylnonan-5-ol
CID 58574498
3-[(3-methylbutylamino)methyl]pentan-3-ol
CID 65107919
10-methyl-4-propylundecan-4-ol
CID 156689332
3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol
CID 107870720
4-(methoxymethyl)-11-methyl-4-propan-2-yldodecan-5-one
CID 118577454
3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol
CID 115919417

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-6-methylheptan-3-ol?
The IUPAC name of 3-(methoxymethyl)-6-methylheptan-3-ol (CID 65149499) is 3-(methoxymethyl)-6-methylheptan-3-ol.
What is the SMILES notation for 3-(methoxymethyl)-6-methylheptan-3-ol?
The canonical SMILES for 3-(methoxymethyl)-6-methylheptan-3-ol is CCC(O)(CCC(C)C)COC.
What is the InChIKey of 3-(methoxymethyl)-6-methylheptan-3-ol?
The InChIKey is RVCIQGIBPOLHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-10(11,8-12-4)7-6-9(2)3/h9,11H,5-8H2,1-4H3.
What are the key properties of 3-(methoxymethyl)-6-methylheptan-3-ol?
3-(methoxymethyl)-6-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)-6-methylheptan-3-ol is sourced from PubChem (CID 65149499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).