3-(1-prop-2-enoxyethyl)penta-1,4-dien-3-ol

C10H16O2 — CID 85299270

IUPAC3-(1-prop-2-enoxyethyl)penta-1,4-dien-3-ol
SMILESC=CCOC(C)C(O)(C=C)C=C
InChIInChI=1S/C10H16O2/c1-5-8-12-9(4)10(11,6-2)7-3/h5-7,9,11H,1-3,8H2,4H3
InChIKeyAFKGUKICNGQMRN-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds6

About 3-(1-prop-2-enoxyethyl)penta-1,4-dien-3-ol

3-(1-prop-2-enoxyethyl)penta-1,4-dien-3-ol (PubChem CID 85299270) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(1-prop-2-enoxyethyl)penta-1,4-dien-3-ol.

Molecular Properties

Compound Name3-(1-prop-2-enoxyethyl)penta-1,4-dien-3-ol
PubChem CID85299270
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-(1-prop-2-enoxyethyl)penta-1,4-dien-3-ol
SMILESC=CCOC(C)C(O)(C=C)C=C
InChIInChI=1S/C10H16O2/c1-5-8-12-9(4)10(11,6-2)7-3/h5-7,9,11H,1-3,8H2,4H3
InChIKeyAFKGUKICNGQMRN-UHFFFAOYSA-N
XLogP1.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(1-prop-2-enoxyethyl)penta-1,4-dien-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-prop-2-enoxyethyl)penta-1,4-dien-3-ol?
The IUPAC name of 3-(1-prop-2-enoxyethyl)penta-1,4-dien-3-ol (CID 85299270) is 3-(1-prop-2-enoxyethyl)penta-1,4-dien-3-ol.
What is the SMILES notation for 3-(1-prop-2-enoxyethyl)penta-1,4-dien-3-ol?
The canonical SMILES for 3-(1-prop-2-enoxyethyl)penta-1,4-dien-3-ol is C=CCOC(C)C(O)(C=C)C=C.
What is the InChIKey of 3-(1-prop-2-enoxyethyl)penta-1,4-dien-3-ol?
The InChIKey is AFKGUKICNGQMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-8-12-9(4)10(11,6-2)7-3/h5-7,9,11H,1-3,8H2,4H3.
What are the key properties of 3-(1-prop-2-enoxyethyl)penta-1,4-dien-3-ol?
3-(1-prop-2-enoxyethyl)penta-1,4-dien-3-ol has a molecular weight of 168.24 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-prop-2-enoxyethyl)penta-1,4-dien-3-ol is sourced from PubChem (CID 85299270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).