2-(3-hydroxypent-1-en-2-yloxy)pent-1-en-3-ol

C10H18O3 — CID 18786251

IUPAC2-(3-hydroxypent-1-en-2-yloxy)pent-1-en-3-ol
SMILESC=C(OC(=C)C(O)CC)C(O)CC
InChIInChI=1S/C10H18O3/c1-5-9(11)7(3)13-8(4)10(12)6-2/h9-12H,3-6H2,1-2H3
InChIKeyDYTORSZBFCREEV-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.57
Rot. Bonds6

About 2-(3-hydroxypent-1-en-2-yloxy)pent-1-en-3-ol

2-(3-hydroxypent-1-en-2-yloxy)pent-1-en-3-ol (PubChem CID 18786251) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(3-hydroxypent-1-en-2-yloxy)pent-1-en-3-ol.

Molecular Properties

Compound Name2-(3-hydroxypent-1-en-2-yloxy)pent-1-en-3-ol
PubChem CID18786251
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(3-hydroxypent-1-en-2-yloxy)pent-1-en-3-ol
SMILESC=C(OC(=C)C(O)CC)C(O)CC
InChIInChI=1S/C10H18O3/c1-5-9(11)7(3)13-8(4)10(12)6-2/h9-12H,3-6H2,1-2H3
InChIKeyDYTORSZBFCREEV-UHFFFAOYSA-N
XLogP1.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypent-1-en-2-yloxy)pent-1-en-3-ol?
The IUPAC name of 2-(3-hydroxypent-1-en-2-yloxy)pent-1-en-3-ol (CID 18786251) is 2-(3-hydroxypent-1-en-2-yloxy)pent-1-en-3-ol.
What is the SMILES notation for 2-(3-hydroxypent-1-en-2-yloxy)pent-1-en-3-ol?
The canonical SMILES for 2-(3-hydroxypent-1-en-2-yloxy)pent-1-en-3-ol is C=C(OC(=C)C(O)CC)C(O)CC.
What is the InChIKey of 2-(3-hydroxypent-1-en-2-yloxy)pent-1-en-3-ol?
The InChIKey is DYTORSZBFCREEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-9(11)7(3)13-8(4)10(12)6-2/h9-12H,3-6H2,1-2H3.
What are the key properties of 2-(3-hydroxypent-1-en-2-yloxy)pent-1-en-3-ol?
2-(3-hydroxypent-1-en-2-yloxy)pent-1-en-3-ol has a molecular weight of 186.25 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypent-1-en-2-yloxy)pent-1-en-3-ol is sourced from PubChem (CID 18786251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).