1,1-dimethoxytetradecane

C16H34O2 — CID 13265409

IUPAC1,1-dimethoxytetradecane
SMILESCCCCCCCCCCCCCC(OC)OC
InChIInChI=1S/C16H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(17-2)18-3/h16H,4-15H2,1-3H3
InChIKeyUOUNLLQHXAHFDJ-UHFFFAOYSA-N
MW258.45 g/mol
LogP5.31
Rot. Bonds14

About 1,1-dimethoxytetradecane

1,1-dimethoxytetradecane (PubChem CID 13265409) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1,1-dimethoxytetradecane.

Molecular Properties

Compound Name1,1-dimethoxytetradecane
PubChem CID13265409
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name1,1-dimethoxytetradecane
SMILESCCCCCCCCCCCCCC(OC)OC
InChIInChI=1S/C16H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(17-2)18-3/h16H,4-15H2,1-3H3
InChIKeyUOUNLLQHXAHFDJ-UHFFFAOYSA-N
XLogP5.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-dimethoxytetradecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-16,16-dimethoxyhexadec-7-ene
CID 6438015
(5S)-5-methoxyundecane
CID 118889956
1,1,21,21-tetramethoxy-11-methylhenicosane
CID 151305042
N-(4,4-dimethoxybutyl)-2-propyloctan-1-amine
CID 146606613
12,12-dimethoxydodecan-1-ol
CID 71412944
1,1-dihydroperoxydecane
CID 54541536
1-(5,5-dimethoxypentoxy)-3-hexoxybenzene
CID 68744497
1-methoxydecoxybenzene
CID 24977925
1-methoxytetradecan-1-ol
CID 19981330
1,1-dibutoxyoctane
CID 54557001
1-methoxydodecan-1-ol
CID 19981343
1-methoxyhenicosan-1-ol
CID 138403001

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxytetradecane?
The IUPAC name of 1,1-dimethoxytetradecane (CID 13265409) is 1,1-dimethoxytetradecane.
What is the SMILES notation for 1,1-dimethoxytetradecane?
The canonical SMILES for 1,1-dimethoxytetradecane is CCCCCCCCCCCCCC(OC)OC.
What is the InChIKey of 1,1-dimethoxytetradecane?
The InChIKey is UOUNLLQHXAHFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(17-2)18-3/h16H,4-15H2,1-3H3.
What are the key properties of 1,1-dimethoxytetradecane?
1,1-dimethoxytetradecane has a molecular weight of 258.45 g/mol, XLogP of 5.31, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxytetradecane is sourced from PubChem (CID 13265409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).