3,3-diethoxydec-1-en-4-ol

C14H28O3 — CID 134993188

IUPAC3,3-diethoxydec-1-en-4-ol
SMILESC=CC(OCC)(OCC)C(O)CCCCCC
InChIInChI=1S/C14H28O3/c1-5-9-10-11-12-13(15)14(6-2,16-7-3)17-8-4/h6,13,15H,2,5,7-12H2,1,3-4H3
InChIKeyDTMHSOYJSWOJDN-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.27
Rot. Bonds11

About 3,3-diethoxydec-1-en-4-ol

3,3-diethoxydec-1-en-4-ol (PubChem CID 134993188) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 3,3-diethoxydec-1-en-4-ol.

Molecular Properties

Compound Name3,3-diethoxydec-1-en-4-ol
PubChem CID134993188
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name3,3-diethoxydec-1-en-4-ol
SMILESC=CC(OCC)(OCC)C(O)CCCCCC
InChIInChI=1S/C14H28O3/c1-5-9-10-11-12-13(15)14(6-2,16-7-3)17-8-4/h6,13,15H,2,5,7-12H2,1,3-4H3
InChIKeyDTMHSOYJSWOJDN-UHFFFAOYSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.27
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,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol
CID 10466412
1-Cyclohexyl-2,2-diethoxybut-3-en-1-ol
CID 10514323
(1S)-1-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol
CID 11298584
(4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 11322182
(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol
CID 11346374
(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol
CID 11513947
3-(Methoxymethoxy)oct-1-en-4-ol
CID 13025034
8,9-Dihydroxynon-1-en-3-yl methyl carbonate
CID 14142039
(4R,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 16059325
(2S)-7-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-ol
CID 25018184
1-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 46180359
1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 46703881

Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxydec-1-en-4-ol?
The IUPAC name of 3,3-diethoxydec-1-en-4-ol (CID 134993188) is 3,3-diethoxydec-1-en-4-ol.
What is the SMILES notation for 3,3-diethoxydec-1-en-4-ol?
The canonical SMILES for 3,3-diethoxydec-1-en-4-ol is C=CC(OCC)(OCC)C(O)CCCCCC.
What is the InChIKey of 3,3-diethoxydec-1-en-4-ol?
The InChIKey is DTMHSOYJSWOJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-5-9-10-11-12-13(15)14(6-2,16-7-3)17-8-4/h6,13,15H,2,5,7-12H2,1,3-4H3.
What are the key properties of 3,3-diethoxydec-1-en-4-ol?
3,3-diethoxydec-1-en-4-ol has a molecular weight of 244.37 g/mol, XLogP of 3.27, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxydec-1-en-4-ol is sourced from PubChem (CID 134993188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).