3-(dimethoxymethyl)-3-methoxypentan-1-ol

C9H20O4 — CID 174712865

IUPAC3-(dimethoxymethyl)-3-methoxypentan-1-ol
SMILESCCC(CCO)(OC)C(OC)OC
InChIInChI=1S/C9H20O4/c1-5-9(13-4,6-7-10)8(11-2)12-3/h8,10H,5-7H2,1-4H3
InChIKeyLJPWVSGQAIIDNQ-UHFFFAOYSA-N
MW192.25 g/mol
LogP0.78
Rot. Bonds7

About 3-(dimethoxymethyl)-3-methoxypentan-1-ol

3-(dimethoxymethyl)-3-methoxypentan-1-ol (PubChem CID 174712865) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 3-(dimethoxymethyl)-3-methoxypentan-1-ol.

Molecular Properties

Compound Name3-(dimethoxymethyl)-3-methoxypentan-1-ol
PubChem CID174712865
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name3-(dimethoxymethyl)-3-methoxypentan-1-ol
SMILESCCC(CCO)(OC)C(OC)OC
InChIInChI=1S/C9H20O4/c1-5-9(13-4,6-7-10)8(11-2)12-3/h8,10H,5-7H2,1-4H3
InChIKeyLJPWVSGQAIIDNQ-UHFFFAOYSA-N
XLogP0.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-3-methoxy-2-methylpentane
CID 23384914
1,1,2,2-tetramethoxyoctane
CID 15697911
2,2,2-trimethoxyethanol;zirconium
CID 87320991
3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643
copper;3-methoxy-3-methylbutan-1-ol
CID 87410693
3-(2-methoxypropylamino)-3-methylpentan-1-ol
CID 106175766
3-methyl-3-propan-2-yloxypentan-1-ol
CID 123376010
1,1-dimethoxy-2,2-dimethylheptane
CID 173169063
7-methoxy-3,3,7-trimethylnonan-1-ol
CID 88874451
3-ethyl-3-methoxy-4-propylheptane
CID 144783113
pentane-1,3,3-triol
CID 22001019
4-(dimethoxymethyl)-4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione
CID 87770622

Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethyl)-3-methoxypentan-1-ol?
The IUPAC name of 3-(dimethoxymethyl)-3-methoxypentan-1-ol (CID 174712865) is 3-(dimethoxymethyl)-3-methoxypentan-1-ol.
What is the SMILES notation for 3-(dimethoxymethyl)-3-methoxypentan-1-ol?
The canonical SMILES for 3-(dimethoxymethyl)-3-methoxypentan-1-ol is CCC(CCO)(OC)C(OC)OC.
What is the InChIKey of 3-(dimethoxymethyl)-3-methoxypentan-1-ol?
The InChIKey is LJPWVSGQAIIDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-5-9(13-4,6-7-10)8(11-2)12-3/h8,10H,5-7H2,1-4H3.
What are the key properties of 3-(dimethoxymethyl)-3-methoxypentan-1-ol?
3-(dimethoxymethyl)-3-methoxypentan-1-ol has a molecular weight of 192.25 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)-3-methoxypentan-1-ol is sourced from PubChem (CID 174712865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).