2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol

C11H24O3 — CID 103018825

IUPAC2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol
SMILESCCC(CO)(CO)CCC(C)(C)OC
InChIInChI=1S/C11H24O3/c1-5-11(8-12,9-13)7-6-10(2,3)14-4/h12-13H,5-9H2,1-4H3
InChIKeyICEWHTIIWQHRAY-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.57
Rot. Bonds7

About 2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol

2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol (PubChem CID 103018825) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol
PubChem CID103018825
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol
SMILESCCC(CO)(CO)CCC(C)(C)OC
InChIInChI=1S/C11H24O3/c1-5-11(8-12,9-13)7-6-10(2,3)14-4/h12-13H,5-9H2,1-4H3
InChIKeyICEWHTIIWQHRAY-UHFFFAOYSA-N
XLogP1.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-5-methoxy-N,5-dimethylhexan-1-amine
CID 103036795
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
2,2,5,5-tetraethylheptan-1-ol
CID 20826079
3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643
copper;3-methoxy-3-methylbutan-1-ol
CID 87410693
5-methoxy-2,5-dimethylhexan-2-ol
CID 21053495
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol
CID 103018143
alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
7-methoxy-N,7-dimethyloctan-3-amine
CID 103034550
2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine
CID 103017418

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol (CID 103018825) is 2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol is CCC(CO)(CO)CCC(C)(C)OC.
What is the InChIKey of 2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol?
The InChIKey is ICEWHTIIWQHRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3/c1-5-11(8-12,9-13)7-6-10(2,3)14-4/h12-13H,5-9H2,1-4H3.
What are the key properties of 2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol?
2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol has a molecular weight of 204.31 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol is sourced from PubChem (CID 103018825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).