2-(3-hydroxypenta-1,4-dien-2-yloxy)penta-1,4-dien-3-ol

C10H14O3 — CID 87197276

IUPAC2-(3-hydroxypenta-1,4-dien-2-yloxy)penta-1,4-dien-3-ol
SMILESC=CC(O)C(=C)OC(=C)C(O)C=C
InChIInChI=1S/C10H14O3/c1-5-9(11)7(3)13-8(4)10(12)6-2/h5-6,9-12H,1-4H2
InChIKeyGYVFSHDVSKOJFH-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.12
Rot. Bonds6

About 2-(3-hydroxypenta-1,4-dien-2-yloxy)penta-1,4-dien-3-ol

2-(3-hydroxypenta-1,4-dien-2-yloxy)penta-1,4-dien-3-ol (PubChem CID 87197276) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(3-hydroxypenta-1,4-dien-2-yloxy)penta-1,4-dien-3-ol.

Molecular Properties

Compound Name2-(3-hydroxypenta-1,4-dien-2-yloxy)penta-1,4-dien-3-ol
PubChem CID87197276
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-(3-hydroxypenta-1,4-dien-2-yloxy)penta-1,4-dien-3-ol
SMILESC=CC(O)C(=C)OC(=C)C(O)C=C
InChIInChI=1S/C10H14O3/c1-5-9(11)7(3)13-8(4)10(12)6-2/h5-6,9-12H,1-4H2
InChIKeyGYVFSHDVSKOJFH-UHFFFAOYSA-N
XLogP1.12
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-Difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol
CID 134832234
3-Buten-2-ol, 1-(2-propenyloxy)-
CID 11715179
2,3-Dihydrofuran-3-ol
CID 11829356
Divinyl diethylene glycol
CID 87258459
1-(2-Hydroxyethoxy)but-3-en-2-ol
CID 141168934
1,1'-Oxybis-3-buten-2-OL
CID 55096
2,2'-Oxybis-3-buten-1-OL
CID 55097
1-Butoxybut-3-en-2-ol
CID 53832378
4-Ethoxypent-1-en-3-ol
CID 88833041
1-But-3-enoxypropan-2-ol
CID 153958547
3-Buten-1-ol, 2-(3-butenyloxy)-, (2R)-
CID 11275059
2-Methoxypenta-1,4-dien-3-ol
CID 13483518

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypenta-1,4-dien-2-yloxy)penta-1,4-dien-3-ol?
The IUPAC name of 2-(3-hydroxypenta-1,4-dien-2-yloxy)penta-1,4-dien-3-ol (CID 87197276) is 2-(3-hydroxypenta-1,4-dien-2-yloxy)penta-1,4-dien-3-ol.
What is the SMILES notation for 2-(3-hydroxypenta-1,4-dien-2-yloxy)penta-1,4-dien-3-ol?
The canonical SMILES for 2-(3-hydroxypenta-1,4-dien-2-yloxy)penta-1,4-dien-3-ol is C=CC(O)C(=C)OC(=C)C(O)C=C.
What is the InChIKey of 2-(3-hydroxypenta-1,4-dien-2-yloxy)penta-1,4-dien-3-ol?
The InChIKey is GYVFSHDVSKOJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-5-9(11)7(3)13-8(4)10(12)6-2/h5-6,9-12H,1-4H2.
What are the key properties of 2-(3-hydroxypenta-1,4-dien-2-yloxy)penta-1,4-dien-3-ol?
2-(3-hydroxypenta-1,4-dien-2-yloxy)penta-1,4-dien-3-ol has a molecular weight of 182.22 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypenta-1,4-dien-2-yloxy)penta-1,4-dien-3-ol is sourced from PubChem (CID 87197276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).