2-(2-cyclopropylethyl)propane-1,3-diol

C8H16O2 — CID 21414845

IUPAC2-(2-cyclopropylethyl)propane-1,3-diol
SMILESOCC(CO)CCC1CC1
InChIInChI=1S/C8H16O2/c9-5-8(6-10)4-3-7-1-2-7/h7-10H,1-6H2
InChIKeyDAICDRDGMSEZFI-UHFFFAOYSA-N
MW144.21 g/mol
LogP0.78
Rot. Bonds5

About 2-(2-cyclopropylethyl)propane-1,3-diol

2-(2-cyclopropylethyl)propane-1,3-diol (PubChem CID 21414845) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-(2-cyclopropylethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-cyclopropylethyl)propane-1,3-diol
PubChem CID21414845
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-(2-cyclopropylethyl)propane-1,3-diol
SMILESOCC(CO)CCC1CC1
InChIInChI=1S/C8H16O2/c9-5-8(6-10)4-3-7-1-2-7/h7-10H,1-6H2
InChIKeyDAICDRDGMSEZFI-UHFFFAOYSA-N
XLogP0.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethyl)propane-1,3-diol?
The IUPAC name of 2-(2-cyclopropylethyl)propane-1,3-diol (CID 21414845) is 2-(2-cyclopropylethyl)propane-1,3-diol.
What is the SMILES notation for 2-(2-cyclopropylethyl)propane-1,3-diol?
The canonical SMILES for 2-(2-cyclopropylethyl)propane-1,3-diol is OCC(CO)CCC1CC1.
What is the InChIKey of 2-(2-cyclopropylethyl)propane-1,3-diol?
The InChIKey is DAICDRDGMSEZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c9-5-8(6-10)4-3-7-1-2-7/h7-10H,1-6H2.
What are the key properties of 2-(2-cyclopropylethyl)propane-1,3-diol?
2-(2-cyclopropylethyl)propane-1,3-diol has a molecular weight of 144.21 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethyl)propane-1,3-diol is sourced from PubChem (CID 21414845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).