1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol

C9H20O4 — CID 134861887

IUPAC1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol
SMILESCOCCC(C)(O)CCOCOC
InChIInChI=1S/C9H20O4/c1-9(10,4-6-11-2)5-7-13-8-12-3/h10H,4-8H2,1-3H3
InChIKeyVBZUUFBKRKZNOP-UHFFFAOYSA-N
MW192.25 g/mol
LogP0.78
Rot. Bonds8

About 1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol

1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol (PubChem CID 134861887) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol.

Molecular Properties

Compound Name1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol
PubChem CID134861887
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol
SMILESCOCCC(C)(O)CCOCOC
InChIInChI=1S/C9H20O4/c1-9(10,4-6-11-2)5-7-13-8-12-3/h10H,4-8H2,1-3H3
InChIKeyVBZUUFBKRKZNOP-UHFFFAOYSA-N
XLogP0.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol
CID 100990652
1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol
CID 54443930
ethyl 3-hydroxy-5-methoxy-3-methylpentanoate
CID 62393447
1-methoxy-3-methyl-6-methylsulfonylhexan-3-ol
CID 65146333
1-methoxy-2-(methoxymethoxymethoxy)ethane
CID 91553787
1-methoxy-3,5-dimethylheptan-3-ol
CID 65146816
5-methoxy-3-methylpent-1-yn-3-ol
CID 13304240
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944415
ethane;1-methoxy-3,3-dimethylbutane
CID 143141249
6-methoxy-3-methylhexan-3-ol
CID 114851780
1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol
CID 65146600
1-ethoxy-5-methoxy-2-methylpentan-2-ol
CID 114852753

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol?
The IUPAC name of 1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol (CID 134861887) is 1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol.
What is the SMILES notation for 1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol?
The canonical SMILES for 1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol is COCCC(C)(O)CCOCOC.
What is the InChIKey of 1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol?
The InChIKey is VBZUUFBKRKZNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-9(10,4-6-11-2)5-7-13-8-12-3/h10H,4-8H2,1-3H3.
What are the key properties of 1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol?
1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol has a molecular weight of 192.25 g/mol, XLogP of 0.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol is sourced from PubChem (CID 134861887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).