2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutan-1-ol

C11H20O4 — CID 155407448

IUPAC2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutan-1-ol
SMILESCOCC1OC(C)(C)OC1C1CCC1O
InChIInChI=1S/C11H20O4/c1-11(2)14-9(6-13-3)10(15-11)7-4-5-8(7)12/h7-10,12H,4-6H2,1-3H3
InChIKeyCFKNMYXLQPNJNM-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.92
Rot. Bonds3

About 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutan-1-ol

2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutan-1-ol (PubChem CID 155407448) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutan-1-ol
PubChem CID155407448
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutan-1-ol
SMILESCOCC1OC(C)(C)OC1C1CCC1O
InChIInChI=1S/C11H20O4/c1-11(2)14-9(6-13-3)10(15-11)7-4-5-8(7)12/h7-10,12H,4-6H2,1-3H3
InChIKeyCFKNMYXLQPNJNM-UHFFFAOYSA-N
XLogP0.92
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-4-cyclobutyl-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 155407417
(4R,6R)-6-(methoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 70964585
(2R,6R,8R)-8-(methoxymethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 134973745
(1R,2R,6S,8S,9R)-8-(methoxymethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 11896203
(3aS,4R,5S,7aR)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-4,5-diol
CID 102460863
3-(methoxymethyl)-2,2-dimethyloxirane
CID 12723336
2-[(4R,5R)-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]aniline
CID 163899363
(2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol
CID 54109760
methyl (E)-4-(7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)-3-methylbut-2-enoate
CID 5365345
(2S,3S)-2,3-bis(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 10967243
(3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol
CID 163285082
(3aS,4S,7S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4,7-diol
CID 14185483

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutan-1-ol?
The IUPAC name of 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutan-1-ol (CID 155407448) is 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutan-1-ol?
The canonical SMILES for 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutan-1-ol is COCC1OC(C)(C)OC1C1CCC1O.
What is the InChIKey of 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutan-1-ol?
The InChIKey is CFKNMYXLQPNJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-11(2)14-9(6-13-3)10(15-11)7-4-5-8(7)12/h7-10,12H,4-6H2,1-3H3.
What are the key properties of 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutan-1-ol?
2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 155407448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).