8-[5-(dimethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]octan-1-ol

C14H27NO4 — CID 13129893

IUPAC8-[5-(dimethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]octan-1-ol
SMILESCOC(OC)C1CC(CCCCCCCCO)=NO1
InChIInChI=1S/C14H27NO4/c1-17-14(18-2)13-11-12(15-19-13)9-7-5-3-4-6-8-10-16/h13-14,16H,3-11H2,1-2H3
InChIKeyHFKFKTOOMBZAQD-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.47
Rot. Bonds11

About 8-[5-(dimethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]octan-1-ol

8-[5-(dimethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]octan-1-ol (PubChem CID 13129893) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 8-[5-(dimethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]octan-1-ol.

Molecular Properties

Compound Name8-[5-(dimethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]octan-1-ol
PubChem CID13129893
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name8-[5-(dimethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]octan-1-ol
SMILESCOC(OC)C1CC(CCCCCCCCO)=NO1
InChIInChI=1S/C14H27NO4/c1-17-14(18-2)13-11-12(15-19-13)9-7-5-3-4-6-8-10-16/h13-14,16H,3-11H2,1-2H3
InChIKeyHFKFKTOOMBZAQD-UHFFFAOYSA-N
XLogP2.47
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Imino-8,8-dimethoxyoctan-2-ol
CID 174351561
5-(Dimethoxymethyl)-3-pentyl-4,5-dihydro-1,2-oxazole
CID 13129891
3-Butyl-5-(diethoxymethyl)-4,5-dihydro-1,2-oxazole
CID 13358879
5-(Dimethoxymethyl)-3-hexyl-4,5-dihydro-1,2-oxazole
CID 121011222

Frequently Asked Questions

What is the IUPAC name of 8-[5-(dimethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]octan-1-ol?
The IUPAC name of 8-[5-(dimethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]octan-1-ol (CID 13129893) is 8-[5-(dimethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]octan-1-ol.
What is the SMILES notation for 8-[5-(dimethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]octan-1-ol?
The canonical SMILES for 8-[5-(dimethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]octan-1-ol is COC(OC)C1CC(CCCCCCCCO)=NO1.
What is the InChIKey of 8-[5-(dimethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]octan-1-ol?
The InChIKey is HFKFKTOOMBZAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-17-14(18-2)13-11-12(15-19-13)9-7-5-3-4-6-8-10-16/h13-14,16H,3-11H2,1-2H3.
What are the key properties of 8-[5-(dimethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]octan-1-ol?
8-[5-(dimethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]octan-1-ol has a molecular weight of 273.37 g/mol, XLogP of 2.47, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(dimethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]octan-1-ol is sourced from PubChem (CID 13129893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).