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

C8H14O3 — CID 10374690

IUPAC(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
SMILESC=CC1(CO)COC(C)(C)O1
InChIInChI=1S/C8H14O3/c1-4-8(5-9)6-10-7(2,3)11-8/h4,9H,1,5-6H2,2-3H3
InChIKeyXZIHUVVXFXSWHX-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.69
Rot. Bonds2

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

(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol (PubChem CID 10374690) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
PubChem CID10374690
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
SMILESC=CC1(CO)COC(C)(C)O1
InChIInChI=1S/C8H14O3/c1-4-8(5-9)6-10-7(2,3)11-8/h4,9H,1,5-6H2,2-3H3
InChIKeyXZIHUVVXFXSWHX-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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Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol (CID 10374690) is (4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol is C=CC1(CO)COC(C)(C)O1.
What is the InChIKey of (4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is XZIHUVVXFXSWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-8(5-9)6-10-7(2,3)11-8/h4,9H,1,5-6H2,2-3H3.
What are the key properties of (4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol?
(4-ethenyl-2,2-dimethyl-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 (4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 10374690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).