ethyl 5-hydroxy-2-(2-methyl-1,3-dioxan-2-yl)pentanoate

C12H22O5 — CID 14915898

IUPACethyl 5-hydroxy-2-(2-methyl-1,3-dioxan-2-yl)pentanoate
SMILESCCOC(=O)C(CCCO)C1(C)OCCCO1
InChIInChI=1S/C12H22O5/c1-3-15-11(14)10(6-4-7-13)12(2)16-8-5-9-17-12/h10,13H,3-9H2,1-2H3
InChIKeyYNASDNICNQCXQT-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.09
Rot. Bonds6

About ethyl 5-hydroxy-2-(2-methyl-1,3-dioxan-2-yl)pentanoate

ethyl 5-hydroxy-2-(2-methyl-1,3-dioxan-2-yl)pentanoate (PubChem CID 14915898) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-(2-methyl-1,3-dioxan-2-yl)pentanoate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-(2-methyl-1,3-dioxan-2-yl)pentanoate
PubChem CID14915898
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Nameethyl 5-hydroxy-2-(2-methyl-1,3-dioxan-2-yl)pentanoate
SMILESCCOC(=O)C(CCCO)C1(C)OCCCO1
InChIInChI=1S/C12H22O5/c1-3-15-11(14)10(6-4-7-13)12(2)16-8-5-9-17-12/h10,13H,3-9H2,1-2H3
InChIKeyYNASDNICNQCXQT-UHFFFAOYSA-N
XLogP1.09
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[(2S,3R,4R)-4-hydroxy-6-methoxy-3-methyloxan-2-yl]propanoate
CID 102254197
methyl 2-[(2R,3S,4S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]oxan-2-yl]acetate
CID 102325630
3,5-Ethylidenedioxy-2,3-dimethylhexanoic acid
CID 129810106
(3S,4R,5R)-4-hydroxy-3-[(1S)-1-hydroxyethyl]-3,5-dimethyloxan-2-one
CID 131067436
tert-butyl (3R,4R)-2-hydroxy-2,4-dimethyloxane-3-carboxylate
CID 134861767
methyl (4R)-2-hydroxy-2,4-dimethyloxane-3-carboxylate
CID 134862961
(2S,3R,4R)-2,4-dimethyl-3-(oxan-2-yloxy)hexanoic acid
CID 162397394
Ethyl 5-hydroxy-2-[1-(3-hydroxypropoxy)ethyl]pentanoate
CID 14915899
methyl (2S)-2-[(4S)-2,2-diethyl-1,3-dioxan-4-yl]-2-[(2R)-oxiran-2-yl]acetate
CID 72713366
(3S,4R)-3-(3-hydroxypropyl)-4-(2-methoxyethoxymethoxy)oxolan-2-one
CID 18657607
2-[3-(2-Methoxypropan-2-yloxy)propyl]propanedioic acid
CID 19765130
5-Methyl-3-(oxan-2-yloxy)hexanoic acid
CID 20759814

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2-(2-methyl-1,3-dioxan-2-yl)pentanoate?
The IUPAC name of ethyl 5-hydroxy-2-(2-methyl-1,3-dioxan-2-yl)pentanoate (CID 14915898) is ethyl 5-hydroxy-2-(2-methyl-1,3-dioxan-2-yl)pentanoate.
What is the SMILES notation for ethyl 5-hydroxy-2-(2-methyl-1,3-dioxan-2-yl)pentanoate?
The canonical SMILES for ethyl 5-hydroxy-2-(2-methyl-1,3-dioxan-2-yl)pentanoate is CCOC(=O)C(CCCO)C1(C)OCCCO1.
What is the InChIKey of ethyl 5-hydroxy-2-(2-methyl-1,3-dioxan-2-yl)pentanoate?
The InChIKey is YNASDNICNQCXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-3-15-11(14)10(6-4-7-13)12(2)16-8-5-9-17-12/h10,13H,3-9H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-2-(2-methyl-1,3-dioxan-2-yl)pentanoate?
ethyl 5-hydroxy-2-(2-methyl-1,3-dioxan-2-yl)pentanoate has a molecular weight of 246.30 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-(2-methyl-1,3-dioxan-2-yl)pentanoate is sourced from PubChem (CID 14915898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).