(2-ethyl-2-methyl-1,3-dioxol-4-yl)methanol

C7H12O3 — CID 141337268

IUPAC(2-ethyl-2-methyl-1,3-dioxol-4-yl)methanol
SMILESCCC1(C)OC=C(CO)O1
InChIInChI=1S/C7H12O3/c1-3-7(2)9-5-6(4-8)10-7/h5,8H,3-4H2,1-2H3
InChIKeyPXXZBCPJHGYSHH-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.99
Rot. Bonds2

About (2-ethyl-2-methyl-1,3-dioxol-4-yl)methanol

(2-ethyl-2-methyl-1,3-dioxol-4-yl)methanol (PubChem CID 141337268) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2-ethyl-2-methyl-1,3-dioxol-4-yl)methanol.

Molecular Properties

Compound Name(2-ethyl-2-methyl-1,3-dioxol-4-yl)methanol
PubChem CID141337268
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(2-ethyl-2-methyl-1,3-dioxol-4-yl)methanol
SMILESCCC1(C)OC=C(CO)O1
InChIInChI=1S/C7H12O3/c1-3-7(2)9-5-6(4-8)10-7/h5,8H,3-4H2,1-2H3
InChIKeyPXXZBCPJHGYSHH-UHFFFAOYSA-N
XLogP0.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dioxol-5-ylmethanol
CID 17868908
2-(Methoxymethoxy)prop-2-en-1-ol
CID 10678218
(2-Methyl-4-methylidene-1,3-dioxolan-2-yl)methanol
CID 15477273
4-(Hydroxymethyl)-1,3-dioxol-2-one
CID 19373541
(2,2-Dimethyl-1,3-dioxol-4-yl)methanol
CID 20552367
2,3,3-Triethoxyprop-2-en-1-ol
CID 54359045
(2,2-Dimethyl-1,3-dioxolan-4-ylidene)methanol
CID 66709856
(E)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methanol
CID 89688934
(2-Butyl-2-methyl-1,3-dioxol-4-yl)methanol
CID 101545510
(5-Methyl-1,3-dioxol-4-yl)methanol
CID 123637667
(E)-(2-ethyl-2-methyl-1,3-dioxolan-4-ylidene)methanol
CID 124175797
(2-Methoxy-2-methyl-1,3-dioxol-4-yl)methanol
CID 140972174

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-methyl-1,3-dioxol-4-yl)methanol?
The IUPAC name of (2-ethyl-2-methyl-1,3-dioxol-4-yl)methanol (CID 141337268) is (2-ethyl-2-methyl-1,3-dioxol-4-yl)methanol.
What is the SMILES notation for (2-ethyl-2-methyl-1,3-dioxol-4-yl)methanol?
The canonical SMILES for (2-ethyl-2-methyl-1,3-dioxol-4-yl)methanol is CCC1(C)OC=C(CO)O1.
What is the InChIKey of (2-ethyl-2-methyl-1,3-dioxol-4-yl)methanol?
The InChIKey is PXXZBCPJHGYSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-7(2)9-5-6(4-8)10-7/h5,8H,3-4H2,1-2H3.
What are the key properties of (2-ethyl-2-methyl-1,3-dioxol-4-yl)methanol?
(2-ethyl-2-methyl-1,3-dioxol-4-yl)methanol has a molecular weight of 144.17 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-methyl-1,3-dioxol-4-yl)methanol is sourced from PubChem (CID 141337268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).