(2,2-dimethyl-5-methylidene-1,3-dioxolan-4-yl)methanol

C7H12O3 — CID 121296933

IUPAC(2,2-dimethyl-5-methylidene-1,3-dioxolan-4-yl)methanol
SMILESC=C1OC(C)(C)OC1CO
InChIInChI=1S/C7H12O3/c1-5-6(4-8)10-7(2,3)9-5/h6,8H,1,4H2,2-3H3
InChIKeyBQDWOARFAGMKLA-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.64
Rot. Bonds1

About (2,2-dimethyl-5-methylidene-1,3-dioxolan-4-yl)methanol

(2,2-dimethyl-5-methylidene-1,3-dioxolan-4-yl)methanol (PubChem CID 121296933) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2,2-dimethyl-5-methylidene-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethyl-5-methylidene-1,3-dioxolan-4-yl)methanol
PubChem CID121296933
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(2,2-dimethyl-5-methylidene-1,3-dioxolan-4-yl)methanol
SMILESC=C1OC(C)(C)OC1CO
InChIInChI=1S/C7H12O3/c1-5-6(4-8)10-7(2,3)9-5/h6,8H,1,4H2,2-3H3
InChIKeyBQDWOARFAGMKLA-UHFFFAOYSA-N
XLogP0.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5S)-(2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-YL)methan-1-OL
CID 11051924
[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 11240632
[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 21579478
(4-Ethenyl-2-methyl-1,3-dioxolan-2-yl)methanol
CID 11701054
(5-Ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 13550240
(2-Methyl-4-methylidene-1,3-dioxolan-2-yl)methanol
CID 15477273
(2-Ethenyl-2-methyl-1,3-dioxolan-4-yl)methanol
CID 69423091
[4-Ethenyl-2-(hydroxymethyl)-1,3-dioxolan-2-yl]methanol
CID 69983179
4-(Hydroxymethyl)-5-methylidene-1,3-dioxolan-2-one
CID 89425099
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenol
CID 129211418
1-(2,2-Dimethyl-1,3-dioxol-4-yl)ethane-1,2-diol
CID 141027157
1-[(4S,5R)-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]ethenol
CID 143071457

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-5-methylidene-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2,2-dimethyl-5-methylidene-1,3-dioxolan-4-yl)methanol (CID 121296933) is (2,2-dimethyl-5-methylidene-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2,2-dimethyl-5-methylidene-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2,2-dimethyl-5-methylidene-1,3-dioxolan-4-yl)methanol is C=C1OC(C)(C)OC1CO.
What is the InChIKey of (2,2-dimethyl-5-methylidene-1,3-dioxolan-4-yl)methanol?
The InChIKey is BQDWOARFAGMKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-5-6(4-8)10-7(2,3)9-5/h6,8H,1,4H2,2-3H3.
What are the key properties of (2,2-dimethyl-5-methylidene-1,3-dioxolan-4-yl)methanol?
(2,2-dimethyl-5-methylidene-1,3-dioxolan-4-yl)methanol has a molecular weight of 144.17 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-5-methylidene-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 121296933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).