(2,2-dimethyl-1,3-dioxolan-4-ylidene)methanol

C6H10O3 — CID 66709856

IUPAC(2,2-dimethyl-1,3-dioxolan-4-ylidene)methanol
SMILESCC1(C)OCC(=CO)O1
InChIInChI=1S/C6H10O3/c1-6(2)8-4-5(3-7)9-6/h3,7H,4H2,1-2H3
InChIKeyKJMRAHQLHJTPHS-UHFFFAOYSA-N
MW130.14 g/mol
LogP1.17
Rot. Bonds

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

(2,2-dimethyl-1,3-dioxolan-4-ylidene)methanol (PubChem CID 66709856) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-ylidene)methanol.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-ylidene)methanol
PubChem CID66709856
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-ylidene)methanol
SMILESCC1(C)OCC(=CO)O1
InChIInChI=1S/C6H10O3/c1-6(2)8-4-5(3-7)9-6/h3,7H,4H2,1-2H3
InChIKeyKJMRAHQLHJTPHS-UHFFFAOYSA-N
XLogP1.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-ylidene)methanol?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-ylidene)methanol (CID 66709856) is (2,2-dimethyl-1,3-dioxolan-4-ylidene)methanol.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-ylidene)methanol?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-ylidene)methanol is CC1(C)OCC(=CO)O1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-ylidene)methanol?
The InChIKey is KJMRAHQLHJTPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-6(2)8-4-5(3-7)9-6/h3,7H,4H2,1-2H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-ylidene)methanol?
(2,2-dimethyl-1,3-dioxolan-4-ylidene)methanol has a molecular weight of 130.14 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-ylidene)methanol is sourced from PubChem (CID 66709856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).