2,3,3-trimethyl-4-propyl-2-(2,3,3-trimethyl-4-propyloctan-2-yl)oxyoctane

C28H58O — CID 175472170

IUPAC2,3,3-trimethyl-4-propyl-2-(2,3,3-trimethyl-4-propyloctan-2-yl)oxyoctane
SMILESCCCCC(CCC)C(C)(C)C(C)(C)OC(C)(C)C(C)(C)C(CCC)CCCC
InChIInChI=1S/C28H58O/c1-13-17-21-23(19-15-3)25(5,6)27(9,10)29-28(11,12)26(7,8)24(20-16-4)22-18-14-2/h23-24H,13-22H2,1-12H3
InChIKeyIDFHAYHABOHVOU-UHFFFAOYSA-N
MW410.77 g/mol
LogP9.83
Rot. Bonds16

About 2,3,3-trimethyl-4-propyl-2-(2,3,3-trimethyl-4-propyloctan-2-yl)oxyoctane

2,3,3-trimethyl-4-propyl-2-(2,3,3-trimethyl-4-propyloctan-2-yl)oxyoctane (PubChem CID 175472170) has the molecular formula C28H58O and a molecular weight of 410.77 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-propyl-2-(2,3,3-trimethyl-4-propyloctan-2-yl)oxyoctane.

Molecular Properties

Compound Name2,3,3-trimethyl-4-propyl-2-(2,3,3-trimethyl-4-propyloctan-2-yl)oxyoctane
PubChem CID175472170
Molecular FormulaC28H58O
Molecular Weight410.77 g/mol
Exact Mass410.45
IUPAC Name2,3,3-trimethyl-4-propyl-2-(2,3,3-trimethyl-4-propyloctan-2-yl)oxyoctane
SMILESCCCCC(CCC)C(C)(C)C(C)(C)OC(C)(C)C(C)(C)C(CCC)CCCC
InChIInChI=1S/C28H58O/c1-13-17-21-23(19-15-3)25(5,6)27(9,10)29-28(11,12)26(7,8)24(20-16-4)22-18-14-2/h23-24H,13-22H2,1-12H3
InChIKeyIDFHAYHABOHVOU-UHFFFAOYSA-N
XLogP9.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.77
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,3-trimethyl-4-propyl-2-(2,3,3-trimethyl-4-propyloctan-2-yl)oxyoctane 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

5-[3-(4-butyl-2,3,3-trimethylnonan-2-yl)oxy-2,3-dimethylbutan-2-yl]decane
CID 175472174
3,3-dimethyl-4-propyloctane
CID 57491237
(2,3,3-trimethyl-4-propyloctan-2-yl)cycloheptane
CID 142984331
3-ethyl-2,2-dimethylheptane
CID 20686447
5-(1,1-dimethoxyethyl)nonane
CID 139962185
5-[tris[(2-methylpropan-2-yl)oxy]methyl]tridecane
CID 150125068
CID 87644352
CID 87644352
7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane
CID 172743472
tris[(3-butyl-2-methylheptan-2-yl)oxy]alumane
CID 141378882
(5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide
CID 173157813
(3-ethyl-2-methylheptan-2-yl)oxysilane
CID 172694489
azane;5-butyl-5-chloro-6-propyldecane
CID 88839354

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-propyl-2-(2,3,3-trimethyl-4-propyloctan-2-yl)oxyoctane?
The IUPAC name of 2,3,3-trimethyl-4-propyl-2-(2,3,3-trimethyl-4-propyloctan-2-yl)oxyoctane (CID 175472170) is 2,3,3-trimethyl-4-propyl-2-(2,3,3-trimethyl-4-propyloctan-2-yl)oxyoctane.
What is the SMILES notation for 2,3,3-trimethyl-4-propyl-2-(2,3,3-trimethyl-4-propyloctan-2-yl)oxyoctane?
The canonical SMILES for 2,3,3-trimethyl-4-propyl-2-(2,3,3-trimethyl-4-propyloctan-2-yl)oxyoctane is CCCCC(CCC)C(C)(C)C(C)(C)OC(C)(C)C(C)(C)C(CCC)CCCC.
What is the InChIKey of 2,3,3-trimethyl-4-propyl-2-(2,3,3-trimethyl-4-propyloctan-2-yl)oxyoctane?
The InChIKey is IDFHAYHABOHVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O/c1-13-17-21-23(19-15-3)25(5,6)27(9,10)29-28(11,12)26(7,8)24(20-16-4)22-18-14-2/h23-24H,13-22H2,1-12H3.
What are the key properties of 2,3,3-trimethyl-4-propyl-2-(2,3,3-trimethyl-4-propyloctan-2-yl)oxyoctane?
2,3,3-trimethyl-4-propyl-2-(2,3,3-trimethyl-4-propyloctan-2-yl)oxyoctane has a molecular weight of 410.77 g/mol, XLogP of 9.83, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-propyl-2-(2,3,3-trimethyl-4-propyloctan-2-yl)oxyoctane is sourced from PubChem (CID 175472170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).