2-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol

C7H14O3 — CID 56996768

IUPAC2-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)C1COCO1
InChIInChI=1S/C7H14O3/c1-7(2,4-8)6-3-9-5-10-6/h6,8H,3-5H2,1-2H3
InChIKeyUMBCBEACRKRWDE-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.38
Rot. Bonds2

About 2-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol

2-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol (PubChem CID 56996768) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol
PubChem CID56996768
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)C1COCO1
InChIInChI=1S/C7H14O3/c1-7(2,4-8)6-3-9-5-10-6/h6,8H,3-5H2,1-2H3
InChIKeyUMBCBEACRKRWDE-UHFFFAOYSA-N
XLogP0.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol (CID 56996768) is 2-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol is CC(C)(CO)C1COCO1.
What is the InChIKey of 2-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol?
The InChIKey is UMBCBEACRKRWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-7(2,4-8)6-3-9-5-10-6/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol?
2-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol has a molecular weight of 146.19 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 56996768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).