1,1-diethoxynon-2-en-4-ol

C13H26O3 — CID 57319218

IUPAC1,1-diethoxynon-2-en-4-ol
SMILESCCCCCC(O)C=CC(OCC)OCC
InChIInChI=1S/C13H26O3/c1-4-7-8-9-12(14)10-11-13(15-5-2)16-6-3/h10-14H,4-9H2,1-3H3
InChIKeyMHUXURLVOJXADV-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.88
Rot. Bonds10

About 1,1-diethoxynon-2-en-4-ol

1,1-diethoxynon-2-en-4-ol (PubChem CID 57319218) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1,1-diethoxynon-2-en-4-ol.

Molecular Properties

Compound Name1,1-diethoxynon-2-en-4-ol
PubChem CID57319218
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name1,1-diethoxynon-2-en-4-ol
SMILESCCCCCC(O)C=CC(OCC)OCC
InChIInChI=1S/C13H26O3/c1-4-7-8-9-12(14)10-11-13(15-5-2)16-6-3/h10-14H,4-9H2,1-3H3
InChIKeyMHUXURLVOJXADV-UHFFFAOYSA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,4S)-1,1-dimethoxyundec-2-en-4-ol
CID 10585572
1,1-diethoxy-N,N-diethyldodec-2-en-4-amine
CID 150556041
(E,3S)-1-iodooct-1-en-3-ol
CID 10988815
(E)-1-chlorooct-1-en-3-ol
CID 14723484
(3S)-1-iodooct-1-en-3-ol
CID 54007858
(3R)-1-iodooct-1-en-3-ol
CID 54007857
(Z)-undec-2-en-4-ol
CID 14320443
icosa-7,15-diene-6,9-diol
CID 57175111
octadec-3-en-5-ol
CID 144649733
(E)-non-2-ene-1,4-diol
CID 14106146
(E,4R)-non-2-ene-1,4-diol
CID 11030095
(Z)-7,10-dihydroxyoctadec-8-enoic acid
CID 56776194

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxynon-2-en-4-ol?
The IUPAC name of 1,1-diethoxynon-2-en-4-ol (CID 57319218) is 1,1-diethoxynon-2-en-4-ol.
What is the SMILES notation for 1,1-diethoxynon-2-en-4-ol?
The canonical SMILES for 1,1-diethoxynon-2-en-4-ol is CCCCCC(O)C=CC(OCC)OCC.
What is the InChIKey of 1,1-diethoxynon-2-en-4-ol?
The InChIKey is MHUXURLVOJXADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-4-7-8-9-12(14)10-11-13(15-5-2)16-6-3/h10-14H,4-9H2,1-3H3.
What are the key properties of 1,1-diethoxynon-2-en-4-ol?
1,1-diethoxynon-2-en-4-ol has a molecular weight of 230.35 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxynon-2-en-4-ol is sourced from PubChem (CID 57319218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).