3-(methoxymethyl)heptan-4-ol

C9H20O2 — CID 83051551

IUPAC3-(methoxymethyl)heptan-4-ol
SMILESCCCC(O)C(CC)COC
InChIInChI=1S/C9H20O2/c1-4-6-9(10)8(5-2)7-11-3/h8-10H,4-7H2,1-3H3
InChIKeyZTVMVDPXPPCDAB-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.82
Rot. Bonds6

About 3-(methoxymethyl)heptan-4-ol

3-(methoxymethyl)heptan-4-ol (PubChem CID 83051551) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-(methoxymethyl)heptan-4-ol.

Molecular Properties

Compound Name3-(methoxymethyl)heptan-4-ol
PubChem CID83051551
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name3-(methoxymethyl)heptan-4-ol
SMILESCCCC(O)C(CC)COC
InChIInChI=1S/C9H20O2/c1-4-6-9(10)8(5-2)7-11-3/h8-10H,4-7H2,1-3H3
InChIKeyZTVMVDPXPPCDAB-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-methoxy-2-(methylaminomethyl)hexan-3-ol
CID 163700719
3-ethyl-1-methoxypentan-2-ol
CID 79568083
3,4-bis(methoxymethyl)hexane
CID 142709823
bis(2-ethyl-3-hydroxyhexyl) but-2-enedioate
CID 54562434
3-(aminomethyl)heptan-4-ol
CID 54499673
bis(2-ethyl-3-hydroxyhexyl) decanedioate
CID 134229647
ethane-1,2-diol;2-ethylhexane-1,3-diol;propane
CID 174469450
1,3-dimethoxyhexan-2-ol
CID 116711716
3-(phenylmethoxymethyl)heptan-4-ol
CID 11333834
(3S)-3-(methoxymethyl)-2-methylpentane
CID 171658474
3-methoxyheptan-4-ol
CID 54045994
5-butylnonan-4-ol
CID 173066814

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)heptan-4-ol?
The IUPAC name of 3-(methoxymethyl)heptan-4-ol (CID 83051551) is 3-(methoxymethyl)heptan-4-ol.
What is the SMILES notation for 3-(methoxymethyl)heptan-4-ol?
The canonical SMILES for 3-(methoxymethyl)heptan-4-ol is CCCC(O)C(CC)COC.
What is the InChIKey of 3-(methoxymethyl)heptan-4-ol?
The InChIKey is ZTVMVDPXPPCDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-4-6-9(10)8(5-2)7-11-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-(methoxymethyl)heptan-4-ol?
3-(methoxymethyl)heptan-4-ol has a molecular weight of 160.26 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)heptan-4-ol is sourced from PubChem (CID 83051551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).