1-[5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-ol

C11H20O4 — CID 174816188

IUPAC1-[5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-ol
SMILESCOC=C1COC(C)(C)OC1CC(C)O
InChIInChI=1S/C11H20O4/c1-8(12)5-10-9(6-13-4)7-14-11(2,3)15-10/h6,8,10,12H,5,7H2,1-4H3
InChIKeyYOTLAXKRCOYPLA-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.44
Rot. Bonds3

About 1-[5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-ol

1-[5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-ol (PubChem CID 174816188) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-ol
PubChem CID174816188
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name1-[5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-ol
SMILESCOC=C1COC(C)(C)OC1CC(C)O
InChIInChI=1S/C11H20O4/c1-8(12)5-10-9(6-13-4)7-14-11(2,3)15-10/h6,8,10,12H,5,7H2,1-4H3
InChIKeyYOTLAXKRCOYPLA-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol
CID 102348877
methyl (3S)-3-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]pentanoate
CID 15305835
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol
CID 123800024
(5R)-5-(2-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one
CID 163955242
[(E)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methyl] acetate
CID 101424507
bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 4047032
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)prop-2-en-1-ol
CID 59026932
methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate
CID 12641503
(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropan-2-ol
CID 10869218
(6S,6aR,8R,9R,10aS,10bR)-6-chloro-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxine
CID 25023423
2-ethoxy-2-(1-hydroxyethyl)-4-(hydroxymethyl)-1,3-dioxan-5-one
CID 71025021
1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol
CID 117345071

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-ol?
The IUPAC name of 1-[5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-ol (CID 174816188) is 1-[5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-ol.
What is the SMILES notation for 1-[5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-ol?
The canonical SMILES for 1-[5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-ol is COC=C1COC(C)(C)OC1CC(C)O.
What is the InChIKey of 1-[5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-ol?
The InChIKey is YOTLAXKRCOYPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-8(12)5-10-9(6-13-4)7-14-11(2,3)15-10/h6,8,10,12H,5,7H2,1-4H3.
What are the key properties of 1-[5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-ol?
1-[5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-ol has a molecular weight of 216.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-ol is sourced from PubChem (CID 174816188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).