3-(trimethoxymethyl)undecane

C15H32O3 — CID 150552650

IUPAC3-(trimethoxymethyl)undecane
SMILESCCCCCCCCC(CC)C(OC)(OC)OC
InChIInChI=1S/C15H32O3/c1-6-8-9-10-11-12-13-14(7-2)15(16-3,17-4)18-5/h14H,6-13H2,1-5H3
InChIKeyIIEWMRPKJCXTAD-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.36
Rot. Bonds12

About 3-(trimethoxymethyl)undecane

3-(trimethoxymethyl)undecane (PubChem CID 150552650) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is 3-(trimethoxymethyl)undecane.

Molecular Properties

Compound Name3-(trimethoxymethyl)undecane
PubChem CID150552650
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Name3-(trimethoxymethyl)undecane
SMILESCCCCCCCCC(CC)C(OC)(OC)OC
InChIInChI=1S/C15H32O3/c1-6-8-9-10-11-12-13-14(7-2)15(16-3,17-4)18-5/h14H,6-13H2,1-5H3
InChIKeyIIEWMRPKJCXTAD-UHFFFAOYSA-N
XLogP4.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
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'}

Analyze 3-(trimethoxymethyl)undecane 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

6-(trimethoxymethyl)tridecane
CID 151806345
4-(trimethoxymethyl)dodecane;hydrochloride
CID 172790816
2-methyl-4-(trimethoxymethyl)dodecane
CID 150841512
2-methyl-5-(trimethoxymethyl)tridecane
CID 151591018
1,1,1-trifluoro-5-(trimethoxymethyl)tridecane
CID 150730779
butan-1-amine;4-(trimethoxymethyl)dodecane
CID 159368257
1-methylsulfanyl-4-(trimethoxymethyl)dodecane
CID 150283206
3-[tris(propylperoxy)methyl]undecane
CID 151124007
1-sulfonyl-4-(trimethoxymethyl)dodecane
CID 151131414
N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine
CID 150981687
1,1,1-trimethoxydecan-2-amine
CID 150913764
1,1,1,2,2,3,3-heptafluoro-6-(trimethoxymethyl)tetradecane
CID 150818115

Frequently Asked Questions

What is the IUPAC name of 3-(trimethoxymethyl)undecane?
The IUPAC name of 3-(trimethoxymethyl)undecane (CID 150552650) is 3-(trimethoxymethyl)undecane.
What is the SMILES notation for 3-(trimethoxymethyl)undecane?
The canonical SMILES for 3-(trimethoxymethyl)undecane is CCCCCCCCC(CC)C(OC)(OC)OC.
What is the InChIKey of 3-(trimethoxymethyl)undecane?
The InChIKey is IIEWMRPKJCXTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3/c1-6-8-9-10-11-12-13-14(7-2)15(16-3,17-4)18-5/h14H,6-13H2,1-5H3.
What are the key properties of 3-(trimethoxymethyl)undecane?
3-(trimethoxymethyl)undecane has a molecular weight of 260.42 g/mol, XLogP of 4.36, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trimethoxymethyl)undecane is sourced from PubChem (CID 150552650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).