3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol

C7H14O3 — CID 154524660

IUPAC3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol
SMILESCC1COC(CCCO)O1
InChIInChI=1S/C7H14O3/c1-6-5-9-7(10-6)3-2-4-8/h6-8H,2-5H2,1H3
InChIKeyHMQCOMBCVOLYTE-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.52
Rot. Bonds3

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

3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol (PubChem CID 154524660) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol
PubChem CID154524660
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol
SMILESCC1COC(CCCO)O1
InChIInChI=1S/C7H14O3/c1-6-5-9-7(10-6)3-2-4-8/h6-8H,2-5H2,1H3
InChIKeyHMQCOMBCVOLYTE-UHFFFAOYSA-N
XLogP0.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol?
The IUPAC name of 3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol (CID 154524660) is 3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol.
What is the SMILES notation for 3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol?
The canonical SMILES for 3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol is CC1COC(CCCO)O1.
What is the InChIKey of 3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol?
The InChIKey is HMQCOMBCVOLYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-6-5-9-7(10-6)3-2-4-8/h6-8H,2-5H2,1H3.
What are the key properties of 3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol?
3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol has a molecular weight of 146.19 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol is sourced from PubChem (CID 154524660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).