5-[3-(4-butyl-2,3,3-trimethylnonan-2-yl)oxy-2,3-dimethylbutan-2-yl]decane

C32H66O — CID 175472174

IUPAC5-[3-(4-butyl-2,3,3-trimethylnonan-2-yl)oxy-2,3-dimethylbutan-2-yl]decane
SMILESCCCCCC(CCCC)C(C)(C)C(C)(C)OC(C)(C)C(C)(C)C(CCCC)CCCCC
InChIInChI=1S/C32H66O/c1-13-17-21-25-27(23-19-15-3)29(5,6)31(9,10)33-32(11,12)30(7,8)28(24-20-16-4)26-22-18-14-2/h27-28H,13-26H2,1-12H3
InChIKeyYAUGKTACEMDRSF-UHFFFAOYSA-N
MW466.88 g/mol
LogP11.39
Rot. Bonds20

About 5-[3-(4-butyl-2,3,3-trimethylnonan-2-yl)oxy-2,3-dimethylbutan-2-yl]decane

5-[3-(4-butyl-2,3,3-trimethylnonan-2-yl)oxy-2,3-dimethylbutan-2-yl]decane (PubChem CID 175472174) has the molecular formula C32H66O and a molecular weight of 466.88 g/mol. Its IUPAC name is 5-[3-(4-butyl-2,3,3-trimethylnonan-2-yl)oxy-2,3-dimethylbutan-2-yl]decane.

Molecular Properties

Compound Name5-[3-(4-butyl-2,3,3-trimethylnonan-2-yl)oxy-2,3-dimethylbutan-2-yl]decane
PubChem CID175472174
Molecular FormulaC32H66O
Molecular Weight466.88 g/mol
Exact Mass466.51
IUPAC Name5-[3-(4-butyl-2,3,3-trimethylnonan-2-yl)oxy-2,3-dimethylbutan-2-yl]decane
SMILESCCCCCC(CCCC)C(C)(C)C(C)(C)OC(C)(C)C(C)(C)C(CCCC)CCCCC
InChIInChI=1S/C32H66O/c1-13-17-21-25-27(23-19-15-3)29(5,6)31(9,10)33-32(11,12)30(7,8)28(24-20-16-4)26-22-18-14-2/h27-28H,13-26H2,1-12H3
InChIKeyYAUGKTACEMDRSF-UHFFFAOYSA-N
XLogP11.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.88
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[3-(4-butyl-2,3,3-trimethylnonan-2-yl)oxy-2,3-dimethylbutan-2-yl]decane 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

2,3,3-trimethyl-4-propyl-2-(2,3,3-trimethyl-4-propyloctan-2-yl)oxyoctane
CID 175472170
5-[tris[(2-methylpropan-2-yl)oxy]methyl]tridecane
CID 150125068
7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane
CID 172743472
6-tert-butylundecane
CID 90714582
9-tert-butylhenicosane
CID 150708915
3-ethyl-2,2-dimethylheptane
CID 20686447
5-(1,1-dimethoxyethyl)nonane
CID 139962185
9-(2-chloropropan-2-yl)heptacosane
CID 151482832
9-(2-chloropropan-2-yl)heptadecane
CID 151028033
3-hexyl-2-methylundecan-2-amine
CID 89005835
(2-methyl-3-octylundecan-2-yl)oxyalumane
CID 173044402
5,6-dibutylicosan-5-ylazanium bromide
CID 3014489

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-butyl-2,3,3-trimethylnonan-2-yl)oxy-2,3-dimethylbutan-2-yl]decane?
The IUPAC name of 5-[3-(4-butyl-2,3,3-trimethylnonan-2-yl)oxy-2,3-dimethylbutan-2-yl]decane (CID 175472174) is 5-[3-(4-butyl-2,3,3-trimethylnonan-2-yl)oxy-2,3-dimethylbutan-2-yl]decane.
What is the SMILES notation for 5-[3-(4-butyl-2,3,3-trimethylnonan-2-yl)oxy-2,3-dimethylbutan-2-yl]decane?
The canonical SMILES for 5-[3-(4-butyl-2,3,3-trimethylnonan-2-yl)oxy-2,3-dimethylbutan-2-yl]decane is CCCCCC(CCCC)C(C)(C)C(C)(C)OC(C)(C)C(C)(C)C(CCCC)CCCCC.
What is the InChIKey of 5-[3-(4-butyl-2,3,3-trimethylnonan-2-yl)oxy-2,3-dimethylbutan-2-yl]decane?
The InChIKey is YAUGKTACEMDRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66O/c1-13-17-21-25-27(23-19-15-3)29(5,6)31(9,10)33-32(11,12)30(7,8)28(24-20-16-4)26-22-18-14-2/h27-28H,13-26H2,1-12H3.
What are the key properties of 5-[3-(4-butyl-2,3,3-trimethylnonan-2-yl)oxy-2,3-dimethylbutan-2-yl]decane?
5-[3-(4-butyl-2,3,3-trimethylnonan-2-yl)oxy-2,3-dimethylbutan-2-yl]decane has a molecular weight of 466.88 g/mol, XLogP of 11.39, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-butyl-2,3,3-trimethylnonan-2-yl)oxy-2,3-dimethylbutan-2-yl]decane is sourced from PubChem (CID 175472174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).