3,7,11,15-tetramethyl-1-(3,7,11,15-tetramethylhexadecoxy)hexadecane

C40H82O — CID 22715350

IUPAC3,7,11,15-tetramethyl-1-(3,7,11,15-tetramethylhexadecoxy)hexadecane
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCOCCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C40H82O/c1-33(2)17-11-19-35(5)21-13-23-37(7)25-15-27-39(9)29-31-41-32-30-40(10)28-16-26-38(8)24-14-22-36(6)20-12-18-34(3)4/h33-40H,11-32H2,1-10H3
InChIKeyNIZKWRQVJHHOKU-UHFFFAOYSA-N
MW579.10 g/mol
LogP13.93
Rot. Bonds30

About 3,7,11,15-tetramethyl-1-(3,7,11,15-tetramethylhexadecoxy)hexadecane

3,7,11,15-tetramethyl-1-(3,7,11,15-tetramethylhexadecoxy)hexadecane (PubChem CID 22715350) has the molecular formula C40H82O and a molecular weight of 579.10 g/mol. Its IUPAC name is 3,7,11,15-tetramethyl-1-(3,7,11,15-tetramethylhexadecoxy)hexadecane.

Molecular Properties

Compound Name3,7,11,15-tetramethyl-1-(3,7,11,15-tetramethylhexadecoxy)hexadecane
PubChem CID22715350
Molecular FormulaC40H82O
Molecular Weight579.10 g/mol
Exact Mass578.64
IUPAC Name3,7,11,15-tetramethyl-1-(3,7,11,15-tetramethylhexadecoxy)hexadecane
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCOCCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C40H82O/c1-33(2)17-11-19-35(5)21-13-23-37(7)25-15-27-39(9)29-31-41-32-30-40(10)28-16-26-38(8)24-14-22-36(6)20-12-18-34(3)4/h33-40H,11-32H2,1-10H3
InChIKeyNIZKWRQVJHHOKU-UHFFFAOYSA-N
XLogP13.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.10
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,7,11,15-tetramethyl-1-(3,7,11,15-tetramethylhexadecoxy)hexadecane 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

Bis(2-ethylhexyl) ether
CID 25010
2H-Pyran, 3-heptyltetrahydro-
CID 68443944
Cetyl Dimethylbutyl Ether
CID 9883836
Diisononyl Ether
CID 13603457
Thromboxane
CID 114873
Dihydrocitronellol ethyl ether, (+-)-
CID 90843
(Methoxymethyl)cyclododecane
CID 3018712
(Ethoxymethyl)cyclododecane
CID 3018713
11-(Butoxymethyl)tricosane
CID 87842016
1,2-[DI-2,6,10,14-Tetramethyl-hexadecan-16-oxy]-propane
CID 448112
Isooctane, oxybis-
CID 183986
Isotridecyl ether
CID 13603459

Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethyl-1-(3,7,11,15-tetramethylhexadecoxy)hexadecane?
The IUPAC name of 3,7,11,15-tetramethyl-1-(3,7,11,15-tetramethylhexadecoxy)hexadecane (CID 22715350) is 3,7,11,15-tetramethyl-1-(3,7,11,15-tetramethylhexadecoxy)hexadecane.
What is the SMILES notation for 3,7,11,15-tetramethyl-1-(3,7,11,15-tetramethylhexadecoxy)hexadecane?
The canonical SMILES for 3,7,11,15-tetramethyl-1-(3,7,11,15-tetramethylhexadecoxy)hexadecane is CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCCC(C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 3,7,11,15-tetramethyl-1-(3,7,11,15-tetramethylhexadecoxy)hexadecane?
The InChIKey is NIZKWRQVJHHOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H82O/c1-33(2)17-11-19-35(5)21-13-23-37(7)25-15-27-39(9)29-31-41-32-30-40(10)28-16-26-38(8)24-14-22-36(6)20-12-18-34(3)4/h33-40H,11-32H2,1-10H3.
What are the key properties of 3,7,11,15-tetramethyl-1-(3,7,11,15-tetramethylhexadecoxy)hexadecane?
3,7,11,15-tetramethyl-1-(3,7,11,15-tetramethylhexadecoxy)hexadecane has a molecular weight of 579.10 g/mol, XLogP of 13.93, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethyl-1-(3,7,11,15-tetramethylhexadecoxy)hexadecane is sourced from PubChem (CID 22715350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).