(5E)-3,3-diethoxynona-1,5-dien-4-ol

C13H24O3 — CID 10704552

IUPAC(5E)-3,3-diethoxynona-1,5-dien-4-ol
SMILESC=CC(OCC)(OCC)C(O)/C=C/CCC
InChIInChI=1S/C13H24O3/c1-5-9-10-11-12(14)13(6-2,15-7-3)16-8-4/h6,10-12,14H,2,5,7-9H2,1,3-4H3/b11-10+
InChIKeyOAXDTYYLEUQCOO-ZHACJKMWSA-N
MW228.33 g/mol
LogP2.66
Rot. Bonds9

About (5E)-3,3-diethoxynona-1,5-dien-4-ol

(5E)-3,3-diethoxynona-1,5-dien-4-ol (PubChem CID 10704552) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (5E)-3,3-diethoxynona-1,5-dien-4-ol.

Molecular Properties

Compound Name(5E)-3,3-diethoxynona-1,5-dien-4-ol
PubChem CID10704552
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(5E)-3,3-diethoxynona-1,5-dien-4-ol
SMILESC=CC(OCC)(OCC)C(O)/C=C/CCC
InChIInChI=1S/C13H24O3/c1-5-9-10-11-12(14)13(6-2,15-7-3)16-8-4/h6,10-12,14H,2,5,7-9H2,1,3-4H3/b11-10+
InChIKeyOAXDTYYLEUQCOO-ZHACJKMWSA-N
XLogP2.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-3,3-diethoxynona-1,5-dien-4-ol?
The IUPAC name of (5E)-3,3-diethoxynona-1,5-dien-4-ol (CID 10704552) is (5E)-3,3-diethoxynona-1,5-dien-4-ol.
What is the SMILES notation for (5E)-3,3-diethoxynona-1,5-dien-4-ol?
The canonical SMILES for (5E)-3,3-diethoxynona-1,5-dien-4-ol is C=CC(OCC)(OCC)C(O)/C=C/CCC.
What is the InChIKey of (5E)-3,3-diethoxynona-1,5-dien-4-ol?
The InChIKey is OAXDTYYLEUQCOO-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H24O3/c1-5-9-10-11-12(14)13(6-2,15-7-3)16-8-4/h6,10-12,14H,2,5,7-9H2,1,3-4H3/b11-10+.
What are the key properties of (5E)-3,3-diethoxynona-1,5-dien-4-ol?
(5E)-3,3-diethoxynona-1,5-dien-4-ol has a molecular weight of 228.33 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3,3-diethoxynona-1,5-dien-4-ol is sourced from PubChem (CID 10704552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).