12,12-dimethoxydodecan-1-ol

C14H30O3 — CID 71412944

IUPAC12,12-dimethoxydodecan-1-ol
SMILESCOC(CCCCCCCCCCCO)OC
InChIInChI=1S/C14H30O3/c1-16-14(17-2)12-10-8-6-4-3-5-7-9-11-13-15/h14-15H,3-13H2,1-2H3
InChIKeySPZVPDLVMDIUTJ-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.50
Rot. Bonds13

About 12,12-dimethoxydodecan-1-ol

12,12-dimethoxydodecan-1-ol (PubChem CID 71412944) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 12,12-dimethoxydodecan-1-ol.

Molecular Properties

Compound Name12,12-dimethoxydodecan-1-ol
PubChem CID71412944
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name12,12-dimethoxydodecan-1-ol
SMILESCOC(CCCCCCCCCCCO)OC
InChIInChI=1S/C14H30O3/c1-16-14(17-2)12-10-8-6-4-3-5-7-9-11-13-15/h14-15H,3-13H2,1-2H3
InChIKeySPZVPDLVMDIUTJ-UHFFFAOYSA-N
XLogP3.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.50
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'}

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Related Compounds

2-[6,6-dimethoxyhexyl(2-hydroxyethyl)amino]ethanol
CID 176937232
(E)-17,17-dimethoxyheptadec-3-en-1-ol
CID 163205461
1,1-dimethoxytetradecane
CID 13265409
1,1,21,21-tetramethoxy-11-methylhenicosane
CID 151305042
2-methoxyoctadecane-1,18-diol
CID 139894208
5-ethynyl-8,8-dimethoxyoctan-1-ol
CID 10703847
7-methoxynonan-1-ol
CID 91306225
12-methoxyoctadecan-1-ol
CID 18347175
methoxymethane;octane-1,8-diol
CID 175193596
7,7-dimethoxyheptanamide
CID 134986076
(4S)-4-methoxyundecan-1-ol
CID 53329455
(10S)-undecane-1,10-diol
CID 129382222

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethoxydodecan-1-ol?
The IUPAC name of 12,12-dimethoxydodecan-1-ol (CID 71412944) is 12,12-dimethoxydodecan-1-ol.
What is the SMILES notation for 12,12-dimethoxydodecan-1-ol?
The canonical SMILES for 12,12-dimethoxydodecan-1-ol is COC(CCCCCCCCCCCO)OC.
What is the InChIKey of 12,12-dimethoxydodecan-1-ol?
The InChIKey is SPZVPDLVMDIUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-16-14(17-2)12-10-8-6-4-3-5-7-9-11-13-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 12,12-dimethoxydodecan-1-ol?
12,12-dimethoxydodecan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 3.50, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethoxydodecan-1-ol is sourced from PubChem (CID 71412944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).