1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol

C10H22O4 — CID 54443930

IUPAC1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol
SMILESCOCCC(O)(CCOC)CCOC
InChIInChI=1S/C10H22O4/c1-12-7-4-10(11,5-8-13-2)6-9-14-3/h11H,4-9H2,1-3H3
InChIKeyCCIOAKUKFBXKNX-UHFFFAOYSA-N
MW206.28 g/mol
LogP0.83
Rot. Bonds9

About 1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol

1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol (PubChem CID 54443930) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol.

Molecular Properties

Compound Name1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol
PubChem CID54443930
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol
SMILESCOCCC(O)(CCOC)CCOC
InChIInChI=1S/C10H22O4/c1-12-7-4-10(11,5-8-13-2)6-9-14-3/h11H,4-9H2,1-3H3
InChIKeyCCIOAKUKFBXKNX-UHFFFAOYSA-N
XLogP0.83
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-3-methylpent-1-yn-3-ol
CID 13304240
1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane
CID 58757996
ethane;1-methoxy-3,3-dimethylbutane
CID 143141249
1,1,1,3-tetramethoxypropane
CID 10920853
1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol
CID 134861887
1-methoxy-3,5-dimethylhex-4-en-3-ol
CID 79190335
3-(aminomethyl)-6-methoxyhexan-3-ol
CID 114852603
1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128
sodium 2-hydroxy-4-methoxybutane-2-sulfonate
CID 103573923
2-fluoro-2-(2-methoxyethyl)propanedioic acid
CID 122239756
6-methoxy-3-methylhexan-3-ol
CID 114851780
1-methoxy-3,5-dimethylheptan-3-ol
CID 65146816

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol?
The IUPAC name of 1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol (CID 54443930) is 1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol.
What is the SMILES notation for 1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol?
The canonical SMILES for 1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol is COCCC(O)(CCOC)CCOC.
What is the InChIKey of 1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol?
The InChIKey is CCIOAKUKFBXKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-12-7-4-10(11,5-8-13-2)6-9-14-3/h11H,4-9H2,1-3H3.
What are the key properties of 1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol?
1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol has a molecular weight of 206.28 g/mol, XLogP of 0.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol is sourced from PubChem (CID 54443930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).