[5-(butoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol

C12H24O4 — CID 68562910

IUPAC[5-(butoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol
SMILESCCCCOCC1(CO)COC(C)(C)OC1
InChIInChI=1S/C12H24O4/c1-4-5-6-14-8-12(7-13)9-15-11(2,3)16-10-12/h13H,4-10H2,1-3H3
InChIKeyUNXGSVIUYOSWSU-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.56
Rot. Bonds6

About [5-(butoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol

[5-(butoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol (PubChem CID 68562910) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is [5-(butoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol.

Molecular Properties

Compound Name[5-(butoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol
PubChem CID68562910
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name[5-(butoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol
SMILESCCCCOCC1(CO)COC(C)(C)OC1
InChIInChI=1S/C12H24O4/c1-4-5-6-14-8-12(7-13)9-15-11(2,3)16-10-12/h13H,4-10H2,1-3H3
InChIKeyUNXGSVIUYOSWSU-UHFFFAOYSA-N
XLogP1.56
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetic acid
CID 139380932
2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetamide
CID 170683553
2-methyl-2-(pentoxymethyl)oxirane
CID 23468435
2-(heptoxymethyl)-2-methyloxirane
CID 23468444
3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane
CID 160915976
[5-(hexoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methyl oct-7-enoate
CID 172621222
[5-[[4-(4-decoxy-3-fluorophenyl)phenoxy]methyl]-2,2-dimethyl-1,3-dioxan-5-yl]methanol
CID 153465189
3,3-bis(octoxymethyl)oxetane
CID 58963686
ethane;[2-ethyl-5-(propoxymethyl)-1,3-dioxan-5-yl]methanol
CID 144803967
2,2-dimethyl-5,5-dipropyl-1,3-dioxane
CID 15153766
2,2-dimethyl-5-(octadec-12-enoxymethyl)-1,3-dioxan-5-amine
CID 123291172
[3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetan-3-yl]methanol
CID 141464010

Frequently Asked Questions

What is the IUPAC name of [5-(butoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol?
The IUPAC name of [5-(butoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol (CID 68562910) is [5-(butoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol.
What is the SMILES notation for [5-(butoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol?
The canonical SMILES for [5-(butoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol is CCCCOCC1(CO)COC(C)(C)OC1.
What is the InChIKey of [5-(butoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol?
The InChIKey is UNXGSVIUYOSWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-4-5-6-14-8-12(7-13)9-15-11(2,3)16-10-12/h13H,4-10H2,1-3H3.
What are the key properties of [5-(butoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol?
[5-(butoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol has a molecular weight of 232.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(butoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol is sourced from PubChem (CID 68562910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).