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

C6H10O3 — CID 141260686

IUPAC(2-ethyl-1,3-dioxol-4-yl)methanol
SMILESCCC1OC=C(CO)O1
InChIInChI=1S/C6H10O3/c1-2-6-8-4-5(3-7)9-6/h4,6-7H,2-3H2,1H3
InChIKeyHNVSRNOBDBWVJM-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.60
Rot. Bonds2

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

(2-ethyl-1,3-dioxol-4-yl)methanol (PubChem CID 141260686) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (2-ethyl-1,3-dioxol-4-yl)methanol.

Molecular Properties

Compound Name(2-ethyl-1,3-dioxol-4-yl)methanol
PubChem CID141260686
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(2-ethyl-1,3-dioxol-4-yl)methanol
SMILESCCC1OC=C(CO)O1
InChIInChI=1S/C6H10O3/c1-2-6-8-4-5(3-7)9-6/h4,6-7H,2-3H2,1H3
InChIKeyHNVSRNOBDBWVJM-UHFFFAOYSA-N
XLogP0.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dioxol-5-ylmethanol
CID 17868908
3-Methoxy-2,5-dihydro-2-furanol
CID 169489126
3-Trisdeuteromethoxy-2,5-dihydro-2-furanol
CID 169489127
2-(Methoxymethoxy)prop-2-en-1-ol
CID 10678218
(Z)-3,3-diethoxyprop-1-ene-1,2-diol
CID 20277925
(2,2-Dimethyl-1,3-dioxol-4-yl)methanol
CID 20552367
(2-Methyl-1,3-dioxolan-4-ylidene)methanol
CID 70367413
3,3-Diethoxyprop-1-ene-1,2-diol
CID 73674283
(5-Methyl-1,3-dioxol-4-yl)methanol
CID 123637667
(2-Methoxy-2-methyl-1,3-dioxol-4-yl)methanol
CID 140972174
(2-Methoxy-1,3-dioxol-4-yl)methanol
CID 140972175
(2,5-Dimethyl-1,3-dioxol-4-yl)methanol
CID 141002546

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-dioxol-4-yl)methanol?
The IUPAC name of (2-ethyl-1,3-dioxol-4-yl)methanol (CID 141260686) is (2-ethyl-1,3-dioxol-4-yl)methanol.
What is the SMILES notation for (2-ethyl-1,3-dioxol-4-yl)methanol?
The canonical SMILES for (2-ethyl-1,3-dioxol-4-yl)methanol is CCC1OC=C(CO)O1.
What is the InChIKey of (2-ethyl-1,3-dioxol-4-yl)methanol?
The InChIKey is HNVSRNOBDBWVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-2-6-8-4-5(3-7)9-6/h4,6-7H,2-3H2,1H3.
What are the key properties of (2-ethyl-1,3-dioxol-4-yl)methanol?
(2-ethyl-1,3-dioxol-4-yl)methanol has a molecular weight of 130.14 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-dioxol-4-yl)methanol is sourced from PubChem (CID 141260686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).