3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol

C8H14O2 — CID 177319356

IUPAC3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol
SMILESC=C(/C=C\C)OCCCO
InChIInChI=1S/C8H14O2/c1-3-5-8(2)10-7-4-6-9/h3,5,9H,2,4,6-7H2,1H3/b5-3-
InChIKeyDTFDLZAFDUSFLV-HYXAFXHYSA-N
MW142.20 g/mol
LogP1.48
Rot. Bonds5

About 3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol

3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol (PubChem CID 177319356) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol
PubChem CID177319356
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol
SMILESC=C(/C=C\C)OCCCO
InChIInChI=1S/C8H14O2/c1-3-5-8(2)10-7-4-6-9/h3,5,9H,2,4,6-7H2,1H3/b5-3-
InChIKeyDTFDLZAFDUSFLV-HYXAFXHYSA-N
XLogP1.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol?
The IUPAC name of 3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol (CID 177319356) is 3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol?
The canonical SMILES for 3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol is C=C(/C=C\C)OCCCO.
What is the InChIKey of 3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol?
The InChIKey is DTFDLZAFDUSFLV-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-8(2)10-7-4-6-9/h3,5,9H,2,4,6-7H2,1H3/b5-3-.
What are the key properties of 3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol?
3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol has a molecular weight of 142.20 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol is sourced from PubChem (CID 177319356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).