3-methoxy-3-methylbutan-1-ol;hydrate

C6H16O3 — CID 141489643

IUPAC3-methoxy-3-methylbutan-1-ol;hydrate
SMILESCOC(C)(C)CCO.O
InChIInChI=1S/C6H14O2.H2O/c1-6(2,8-3)4-5-7;/h7H,4-5H2,1-3H3;1H2
InChIKeyLELJLPNDHZTODX-UHFFFAOYSA-N
MW136.19 g/mol
LogP-0.03
Rot. Bonds3

About 3-methoxy-3-methylbutan-1-ol;hydrate

3-methoxy-3-methylbutan-1-ol;hydrate (PubChem CID 141489643) has the molecular formula C6H16O3 and a molecular weight of 136.19 g/mol. Its IUPAC name is 3-methoxy-3-methylbutan-1-ol;hydrate.

Molecular Properties

Compound Name3-methoxy-3-methylbutan-1-ol;hydrate
PubChem CID141489643
Molecular FormulaC6H16O3
Molecular Weight136.19 g/mol
Exact Mass136.11
IUPAC Name3-methoxy-3-methylbutan-1-ol;hydrate
SMILESCOC(C)(C)CCO.O
InChIInChI=1S/C6H14O2.H2O/c1-6(2,8-3)4-5-7;/h7H,4-5H2,1-3H3;1H2
InChIKeyLELJLPNDHZTODX-UHFFFAOYSA-N
XLogP-0.03
TPSA60.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

copper;3-methoxy-3-methylbutan-1-ol
CID 87410693
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3-methoxy-3-methylbutan-1-ol;3-methylbutanamide
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2-(3-methoxy-3-methylbutyl)sulfanylethanol
CID 102975050
3-(methoxymethoxy)-3-methylbutan-1-ol
CID 55264350
N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol
CID 176553145
5-methoxy-2,5-dimethylhexan-2-ol
CID 21053495
4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
CID 170009716
ethane-1,2-diol;(3-methoxy-3-methylbutyl) acetate
CID 146356038
2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol
CID 103018825
5-methoxy-2,2,5-trimethylhexanenitrile
CID 103017221

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methylbutan-1-ol;hydrate?
The IUPAC name of 3-methoxy-3-methylbutan-1-ol;hydrate (CID 141489643) is 3-methoxy-3-methylbutan-1-ol;hydrate.
What is the SMILES notation for 3-methoxy-3-methylbutan-1-ol;hydrate?
The canonical SMILES for 3-methoxy-3-methylbutan-1-ol;hydrate is COC(C)(C)CCO.O.
What is the InChIKey of 3-methoxy-3-methylbutan-1-ol;hydrate?
The InChIKey is LELJLPNDHZTODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.H2O/c1-6(2,8-3)4-5-7;/h7H,4-5H2,1-3H3;1H2.
What are the key properties of 3-methoxy-3-methylbutan-1-ol;hydrate?
3-methoxy-3-methylbutan-1-ol;hydrate has a molecular weight of 136.19 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methylbutan-1-ol;hydrate is sourced from PubChem (CID 141489643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).