3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol

C10H16O3 — CID 22003276

IUPAC3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol
SMILESCC(OCC(O)CO)C1=CC=CC1
InChIInChI=1S/C10H16O3/c1-8(9-4-2-3-5-9)13-7-10(12)6-11/h2-4,8,10-12H,5-7H2,1H3
InChIKeyQMUSQJQXTPKJQI-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.63
Rot. Bonds5

About 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol

3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol (PubChem CID 22003276) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol
PubChem CID22003276
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol
SMILESCC(OCC(O)CO)C1=CC=CC1
InChIInChI=1S/C10H16O3/c1-8(9-4-2-3-5-9)13-7-10(12)6-11/h2-4,8,10-12H,5-7H2,1H3
InChIKeyQMUSQJQXTPKJQI-UHFFFAOYSA-N
XLogP0.63
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol?
The IUPAC name of 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol (CID 22003276) is 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol.
What is the SMILES notation for 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol?
The canonical SMILES for 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol is CC(OCC(O)CO)C1=CC=CC1.
What is the InChIKey of 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol?
The InChIKey is QMUSQJQXTPKJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(9-4-2-3-5-9)13-7-10(12)6-11/h2-4,8,10-12H,5-7H2,1H3.
What are the key properties of 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol?
3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol has a molecular weight of 184.24 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol is sourced from PubChem (CID 22003276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).