2-cyclopropyl-3-methoxypropane-1,2-diol

C7H14O3 — CID 82713795

IUPAC2-cyclopropyl-3-methoxypropane-1,2-diol
SMILESCOCC(O)(CO)C1CC1
InChIInChI=1S/C7H14O3/c1-10-5-7(9,4-8)6-2-3-6/h6,8-9H,2-5H2,1H3
InChIKeyNQTGQKLZNZHZOA-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.23
Rot. Bonds4

About 2-cyclopropyl-3-methoxypropane-1,2-diol

2-cyclopropyl-3-methoxypropane-1,2-diol (PubChem CID 82713795) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-cyclopropyl-3-methoxypropane-1,2-diol.

Molecular Properties

Compound Name2-cyclopropyl-3-methoxypropane-1,2-diol
PubChem CID82713795
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-cyclopropyl-3-methoxypropane-1,2-diol
SMILESCOCC(O)(CO)C1CC1
InChIInChI=1S/C7H14O3/c1-10-5-7(9,4-8)6-2-3-6/h6,8-9H,2-5H2,1H3
InChIKeyNQTGQKLZNZHZOA-UHFFFAOYSA-N
XLogP-0.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-methoxypropane-1,2-diol?
The IUPAC name of 2-cyclopropyl-3-methoxypropane-1,2-diol (CID 82713795) is 2-cyclopropyl-3-methoxypropane-1,2-diol.
What is the SMILES notation for 2-cyclopropyl-3-methoxypropane-1,2-diol?
The canonical SMILES for 2-cyclopropyl-3-methoxypropane-1,2-diol is COCC(O)(CO)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-methoxypropane-1,2-diol?
The InChIKey is NQTGQKLZNZHZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-10-5-7(9,4-8)6-2-3-6/h6,8-9H,2-5H2,1H3.
What are the key properties of 2-cyclopropyl-3-methoxypropane-1,2-diol?
2-cyclopropyl-3-methoxypropane-1,2-diol has a molecular weight of 146.19 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-methoxypropane-1,2-diol is sourced from PubChem (CID 82713795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).