(2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol

C8H14O3 — CID 130147634

IUPAC(2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol
SMILESC=C(C)C1(C)OCC(CO)O1
InChIInChI=1S/C8H14O3/c1-6(2)8(3)10-5-7(4-9)11-8/h7,9H,1,4-5H2,2-3H3
InChIKeyCWTAZTHAPCBVAI-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.69
Rot. Bonds2

About (2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol

(2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol (PubChem CID 130147634) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol
PubChem CID130147634
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol
SMILESC=C(C)C1(C)OCC(CO)O1
InChIInChI=1S/C8H14O3/c1-6(2)8(3)10-5-7(4-9)11-8/h7,9H,1,4-5H2,2-3H3
InChIKeyCWTAZTHAPCBVAI-UHFFFAOYSA-N
XLogP0.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 71445983
(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane
CID 67855478
[(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol
CID 131089318
[(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol
CID 99492998
[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 10986806
(2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol
CID 22967026
(2-methyl-2-pentan-2-yl-1,3-dioxolan-4-yl)methanol
CID 71439187
(2-hexyl-2-methyl-1,3-dioxolan-4-yl)methanol
CID 21868
(2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol
CID 58883730
(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
CID 15923819
[2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol
CID 117168913
(2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol
CID 22967024

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol (CID 130147634) is (2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol is C=C(C)C1(C)OCC(CO)O1.
What is the InChIKey of (2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol?
The InChIKey is CWTAZTHAPCBVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-6(2)8(3)10-5-7(4-9)11-8/h7,9H,1,4-5H2,2-3H3.
What are the key properties of (2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol?
(2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol has a molecular weight of 158.20 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 130147634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).