2-(2,4-dimethylpentan-3-yl)-4-methyloxane

C13H26O — CID 176760513

IUPAC2-(2,4-dimethylpentan-3-yl)-4-methyloxane
SMILESCC1CCOC(C(C(C)C)C(C)C)C1
InChIInChI=1S/C13H26O/c1-9(2)13(10(3)4)12-8-11(5)6-7-14-12/h9-13H,6-8H2,1-5H3
InChIKeyNYRSHIAFAFWCDF-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.73
Rot. Bonds3

About 2-(2,4-dimethylpentan-3-yl)-4-methyloxane

2-(2,4-dimethylpentan-3-yl)-4-methyloxane (PubChem CID 176760513) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-(2,4-dimethylpentan-3-yl)-4-methyloxane.

Molecular Properties

Compound Name2-(2,4-dimethylpentan-3-yl)-4-methyloxane
PubChem CID176760513
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2-(2,4-dimethylpentan-3-yl)-4-methyloxane
SMILESCC1CCOC(C(C(C)C)C(C)C)C1
InChIInChI=1S/C13H26O/c1-9(2)13(10(3)4)12-8-11(5)6-7-14-12/h9-13H,6-8H2,1-5H3
InChIKeyNYRSHIAFAFWCDF-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2,4-dimethylpentan-3-yl)-4-methyloxane 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-methylpropane;4-methyl-2-propan-2-yloxane
CID 145025500
4-methyl-3-(4-methyloxan-2-yl)pentanethioic S-acid
CID 175970719
(4R)-2,4-dimethyloxane
CID 129313541
(2R,4S)-2-cyclopropyl-4-methyloxane
CID 118913002
2,4-dimethyloxane;ethane
CID 143101228
(2R,4S)-4-methyl-2-(2-methylpropyl)oxane
CID 12684606
acetylene;2,4-dimethyloxane
CID 142252938
2,4-dimethyloxane;methane;methanol
CID 145467505
2,6-dimethyl-1,3-dioxocane
CID 67957151
2,4-dimethyloxane;ethene;methanol
CID 145468065
2-methyl-3-(4-methyloxan-2-yl)propanal
CID 130025863
(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-4-methyloxane-2-carboxamide
CID 154756403

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpentan-3-yl)-4-methyloxane?
The IUPAC name of 2-(2,4-dimethylpentan-3-yl)-4-methyloxane (CID 176760513) is 2-(2,4-dimethylpentan-3-yl)-4-methyloxane.
What is the SMILES notation for 2-(2,4-dimethylpentan-3-yl)-4-methyloxane?
The canonical SMILES for 2-(2,4-dimethylpentan-3-yl)-4-methyloxane is CC1CCOC(C(C(C)C)C(C)C)C1.
What is the InChIKey of 2-(2,4-dimethylpentan-3-yl)-4-methyloxane?
The InChIKey is NYRSHIAFAFWCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-9(2)13(10(3)4)12-8-11(5)6-7-14-12/h9-13H,6-8H2,1-5H3.
What are the key properties of 2-(2,4-dimethylpentan-3-yl)-4-methyloxane?
2-(2,4-dimethylpentan-3-yl)-4-methyloxane has a molecular weight of 198.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpentan-3-yl)-4-methyloxane is sourced from PubChem (CID 176760513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).