3-prop-2-enoxypentane-1,5-diol

C8H16O3 — CID 22352605

IUPAC3-prop-2-enoxypentane-1,5-diol
SMILESC=CCOC(CCO)CCO
InChIInChI=1S/C8H16O3/c1-2-7-11-8(3-5-9)4-6-10/h2,8-10H,1,3-7H2
InChIKeyATSWGNGUZYISEL-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.32
Rot. Bonds7

About 3-prop-2-enoxypentane-1,5-diol

3-prop-2-enoxypentane-1,5-diol (PubChem CID 22352605) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3-prop-2-enoxypentane-1,5-diol.

Molecular Properties

Compound Name3-prop-2-enoxypentane-1,5-diol
PubChem CID22352605
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3-prop-2-enoxypentane-1,5-diol
SMILESC=CCOC(CCO)CCO
InChIInChI=1S/C8H16O3/c1-2-7-11-8(3-5-9)4-6-10/h2,8-10H,1,3-7H2
InChIKeyATSWGNGUZYISEL-UHFFFAOYSA-N
XLogP0.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxypentane-1,5-diol?
The IUPAC name of 3-prop-2-enoxypentane-1,5-diol (CID 22352605) is 3-prop-2-enoxypentane-1,5-diol.
What is the SMILES notation for 3-prop-2-enoxypentane-1,5-diol?
The canonical SMILES for 3-prop-2-enoxypentane-1,5-diol is C=CCOC(CCO)CCO.
What is the InChIKey of 3-prop-2-enoxypentane-1,5-diol?
The InChIKey is ATSWGNGUZYISEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-2-7-11-8(3-5-9)4-6-10/h2,8-10H,1,3-7H2.
What are the key properties of 3-prop-2-enoxypentane-1,5-diol?
3-prop-2-enoxypentane-1,5-diol has a molecular weight of 160.21 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxypentane-1,5-diol is sourced from PubChem (CID 22352605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).