2-methylpropane;4-methyl-2-propan-2-yloxane

C13H28O — CID 145025500

IUPAC2-methylpropane;4-methyl-2-propan-2-yloxane
SMILESCC(C)C.CC1CCOC(C(C)C)C1
InChIInChI=1S/C9H18O.C4H10/c1-7(2)9-6-8(3)4-5-10-9;1-4(2)3/h7-9H,4-6H2,1-3H3;4H,1-3H3
InChIKeyAZSFTTHCCUTZOV-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.12
Rot. Bonds1

About 2-methylpropane;4-methyl-2-propan-2-yloxane

2-methylpropane;4-methyl-2-propan-2-yloxane (PubChem CID 145025500) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-methylpropane;4-methyl-2-propan-2-yloxane.

Molecular Properties

Compound Name2-methylpropane;4-methyl-2-propan-2-yloxane
PubChem CID145025500
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name2-methylpropane;4-methyl-2-propan-2-yloxane
SMILESCC(C)C.CC1CCOC(C(C)C)C1
InChIInChI=1S/C9H18O.C4H10/c1-7(2)9-6-8(3)4-5-10-9;1-4(2)3/h7-9H,4-6H2,1-3H3;4H,1-3H3
InChIKeyAZSFTTHCCUTZOV-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methylpropane;4-methyl-2-propan-2-yloxane 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-(2,4-dimethylpentan-3-yl)-4-methyloxane
CID 176760513
[(2R,4S)-2-propan-2-yloxan-4-yl]methanol
CID 97010857
(4R)-2,4-dimethyloxane
CID 129313541
2-propan-2-yloxane-4-carbothioamide
CID 12798670
4-methyl-3-(4-methyloxan-2-yl)pentanethioic S-acid
CID 175970719
(2R,4S)-2-cyclopropyl-4-methyloxane
CID 118913002
2-(2-propan-2-yloxan-4-yl)propan-1-amine
CID 83906955
2,4-dimethyloxane;ethane
CID 143101228
(2R,4S)-4-methyl-2-(2-methylpropyl)oxane
CID 12684606
acetylene;2,4-dimethyloxane
CID 142252938
(2R,4S)-4-phenyl-2-propan-2-yloxane
CID 118068345
2-propan-2-yl-N-(thian-4-yl)oxan-4-amine
CID 115888210

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;4-methyl-2-propan-2-yloxane?
The IUPAC name of 2-methylpropane;4-methyl-2-propan-2-yloxane (CID 145025500) is 2-methylpropane;4-methyl-2-propan-2-yloxane.
What is the SMILES notation for 2-methylpropane;4-methyl-2-propan-2-yloxane?
The canonical SMILES for 2-methylpropane;4-methyl-2-propan-2-yloxane is CC(C)C.CC1CCOC(C(C)C)C1.
What is the InChIKey of 2-methylpropane;4-methyl-2-propan-2-yloxane?
The InChIKey is AZSFTTHCCUTZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C4H10/c1-7(2)9-6-8(3)4-5-10-9;1-4(2)3/h7-9H,4-6H2,1-3H3;4H,1-3H3.
What are the key properties of 2-methylpropane;4-methyl-2-propan-2-yloxane?
2-methylpropane;4-methyl-2-propan-2-yloxane has a molecular weight of 200.37 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;4-methyl-2-propan-2-yloxane is sourced from PubChem (CID 145025500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).