2,2-dimethyl-4-propan-2-yloxane;2,6-dimethyl-4-propan-2-yloxane;methane;2-methyl-4-propan-2-yloxane;4-propan-2-yloxane

C38H78O4 — CID 162033840

IUPAC2,2-dimethyl-4-propan-2-yloxane;2,6-dimethyl-4-propan-2-yloxane;methane;2-methyl-4-propan-2-yloxane;4-propan-2-yloxane
SMILESC.CC(C)C1CCOC(C)(C)C1.CC(C)C1CCOCC1.CC1CC(C(C)C)CC(C)O1.CC1CC(C(C)C)CCO1
InChIInChI=1S/2C10H20O.C9H18O.C8H16O.CH4/c1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)9-5-6-11-10(3,4)7-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)8-3-5-9-6-4-8;/h7-10H,5-6H2,1-4H3;8-9H,5-7H2,1-4H3;7-9H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;1H4
InChIKeyYWJPUUXFIHXVLE-UHFFFAOYSA-N
MW599.04 g/mol
LogP10.86
Rot. Bonds4

About 2,2-dimethyl-4-propan-2-yloxane;2,6-dimethyl-4-propan-2-yloxane;methane;2-methyl-4-propan-2-yloxane;4-propan-2-yloxane

2,2-dimethyl-4-propan-2-yloxane;2,6-dimethyl-4-propan-2-yloxane;methane;2-methyl-4-propan-2-yloxane;4-propan-2-yloxane (PubChem CID 162033840) has the molecular formula C38H78O4 and a molecular weight of 599.04 g/mol. Its IUPAC name is 2,2-dimethyl-4-propan-2-yloxane;2,6-dimethyl-4-propan-2-yloxane;methane;2-methyl-4-propan-2-yloxane;4-propan-2-yloxane.

Molecular Properties

Compound Name2,2-dimethyl-4-propan-2-yloxane;2,6-dimethyl-4-propan-2-yloxane;methane;2-methyl-4-propan-2-yloxane;4-propan-2-yloxane
PubChem CID162033840
Molecular FormulaC38H78O4
Molecular Weight599.04 g/mol
Exact Mass598.59
IUPAC Name2,2-dimethyl-4-propan-2-yloxane;2,6-dimethyl-4-propan-2-yloxane;methane;2-methyl-4-propan-2-yloxane;4-propan-2-yloxane
SMILESC.CC(C)C1CCOC(C)(C)C1.CC(C)C1CCOCC1.CC1CC(C(C)C)CC(C)O1.CC1CC(C(C)C)CCO1
InChIInChI=1S/2C10H20O.C9H18O.C8H16O.CH4/c1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)9-5-6-11-10(3,4)7-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)8-3-5-9-6-4-8;/h7-10H,5-6H2,1-4H3;8-9H,5-7H2,1-4H3;7-9H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;1H4
InChIKeyYWJPUUXFIHXVLE-UHFFFAOYSA-N
XLogP10.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.04
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-4-propan-2-yloxane;2,6-dimethyl-4-propan-2-yloxane;methane;2-methyl-4-propan-2-yloxane;4-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

(2S,4R)-2-methyl-4-propan-2-yloxane
CID 177186832
1-(2,2-dimethyloxan-4-yl)butan-1-amine
CID 83047863
N-(2,6-dimethyloxan-4-yl)-2,2-dimethyloxan-4-amine
CID 83033712
1-(2-methyloxan-4-yl)ethanamine
CID 66437855
(1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol
CID 124526820
(1R)-1-[(2S,4R)-2-methyloxan-4-yl]ethanol
CID 97044423
1-(2,2-dimethyloxan-4-yl)-N,2-dimethylpropan-1-amine
CID 79298060
deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane)
CID 165012201
(3S)-3-butan-2-yloxolane;ethane;4-methyloxane;(4R)-2,2,4-trimethyloxane
CID 169190720
2-methyl-N-(3-propan-2-ylcyclohexyl)oxan-4-amine
CID 103910632
4-(1-chloropropyl)-2-methyloxane
CID 79308102
(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methylpentanenitrile
CID 907270

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-propan-2-yloxane;2,6-dimethyl-4-propan-2-yloxane;methane;2-methyl-4-propan-2-yloxane;4-propan-2-yloxane?
The IUPAC name of 2,2-dimethyl-4-propan-2-yloxane;2,6-dimethyl-4-propan-2-yloxane;methane;2-methyl-4-propan-2-yloxane;4-propan-2-yloxane (CID 162033840) is 2,2-dimethyl-4-propan-2-yloxane;2,6-dimethyl-4-propan-2-yloxane;methane;2-methyl-4-propan-2-yloxane;4-propan-2-yloxane.
What is the SMILES notation for 2,2-dimethyl-4-propan-2-yloxane;2,6-dimethyl-4-propan-2-yloxane;methane;2-methyl-4-propan-2-yloxane;4-propan-2-yloxane?
The canonical SMILES for 2,2-dimethyl-4-propan-2-yloxane;2,6-dimethyl-4-propan-2-yloxane;methane;2-methyl-4-propan-2-yloxane;4-propan-2-yloxane is C.CC(C)C1CCOC(C)(C)C1.CC(C)C1CCOCC1.CC1CC(C(C)C)CC(C)O1.CC1CC(C(C)C)CCO1.
What is the InChIKey of 2,2-dimethyl-4-propan-2-yloxane;2,6-dimethyl-4-propan-2-yloxane;methane;2-methyl-4-propan-2-yloxane;4-propan-2-yloxane?
The InChIKey is YWJPUUXFIHXVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20O.C9H18O.C8H16O.CH4/c1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)9-5-6-11-10(3,4)7-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)8-3-5-9-6-4-8;/h7-10H,5-6H2,1-4H3;8-9H,5-7H2,1-4H3;7-9H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;1H4.
What are the key properties of 2,2-dimethyl-4-propan-2-yloxane;2,6-dimethyl-4-propan-2-yloxane;methane;2-methyl-4-propan-2-yloxane;4-propan-2-yloxane?
2,2-dimethyl-4-propan-2-yloxane;2,6-dimethyl-4-propan-2-yloxane;methane;2-methyl-4-propan-2-yloxane;4-propan-2-yloxane has a molecular weight of 599.04 g/mol, XLogP of 10.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-propan-2-yloxane;2,6-dimethyl-4-propan-2-yloxane;methane;2-methyl-4-propan-2-yloxane;4-propan-2-yloxane is sourced from PubChem (CID 162033840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).