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

C7H14O3 — CID 19900604

IUPAC1-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)C1COCO1
InChIInChI=1S/C7H14O3/c1-5(2)7(8)6-3-9-4-10-6/h5-8H,3-4H2,1-2H3
InChIKeyHWIXGFACXHZKGL-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.38
Rot. Bonds2

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

1-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol (PubChem CID 19900604) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol
PubChem CID19900604
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name1-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)C1COCO1
InChIInChI=1S/C7H14O3/c1-5(2)7(8)6-3-9-4-10-6/h5-8H,3-4H2,1-2H3
InChIKeyHWIXGFACXHZKGL-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 1-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol (CID 19900604) is 1-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol is CC(C)C(O)C1COCO1.
What is the InChIKey of 1-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol?
The InChIKey is HWIXGFACXHZKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5(2)7(8)6-3-9-4-10-6/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol?
1-(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 1-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 19900604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).