3-methoxyheptan-4-ol

C8H18O2 — CID 54045994

IUPAC3-methoxyheptan-4-ol
SMILESCCCC(O)C(CC)OC
InChIInChI=1S/C8H18O2/c1-4-6-7(9)8(5-2)10-3/h7-9H,4-6H2,1-3H3
InChIKeyPYRYVZKXUCPQMF-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.57
Rot. Bonds5

About 3-methoxyheptan-4-ol

3-methoxyheptan-4-ol (PubChem CID 54045994) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 3-methoxyheptan-4-ol.

Molecular Properties

Compound Name3-methoxyheptan-4-ol
PubChem CID54045994
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name3-methoxyheptan-4-ol
SMILESCCCC(O)C(CC)OC
InChIInChI=1S/C8H18O2/c1-4-6-7(9)8(5-2)10-3/h7-9H,4-6H2,1-3H3
InChIKeyPYRYVZKXUCPQMF-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxydodecan-4-ol
CID 116710713
4-methoxynonan-5-ol
CID 116711594
(2S,3R,4R)-3-methoxyheptane-2,4-diol
CID 10012212
(3R)-4-methoxy-3-propylhexan-1-ol
CID 89361343
4-methoxy-1-methylsulfonylhexan-3-ol
CID 116710913
1,3-dimethoxyhexan-2-ol
CID 116711716
6-methoxy-2-methylnon-1-en-5-ol
CID 114474042
4-methoxy-7-methyldecan-5-ol
CID 116711734
3-(3-methoxy-3-methylbutoxy)heptan-4-ol
CID 106666571
5-butylnonan-4-ol
CID 173066814
4-methoxy-2-methylheptan-3-ol
CID 116711593
octane-4,5-diol;hydrate
CID 141056272

Frequently Asked Questions

What is the IUPAC name of 3-methoxyheptan-4-ol?
The IUPAC name of 3-methoxyheptan-4-ol (CID 54045994) is 3-methoxyheptan-4-ol.
What is the SMILES notation for 3-methoxyheptan-4-ol?
The canonical SMILES for 3-methoxyheptan-4-ol is CCCC(O)C(CC)OC.
What is the InChIKey of 3-methoxyheptan-4-ol?
The InChIKey is PYRYVZKXUCPQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-4-6-7(9)8(5-2)10-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-methoxyheptan-4-ol?
3-methoxyheptan-4-ol has a molecular weight of 146.23 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyheptan-4-ol is sourced from PubChem (CID 54045994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).