2-methyl-6-propan-2-yloxyheptane

C11H24O — CID 158226475

IUPAC2-methyl-6-propan-2-yloxyheptane
SMILESCC(C)CCCC(C)OC(C)C
InChIInChI=1S/C11H24O/c1-9(2)7-6-8-11(5)12-10(3)4/h9-11H,6-8H2,1-5H3
InChIKeyWEWYRPIXYNRYNI-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.63
Rot. Bonds6

About 2-methyl-6-propan-2-yloxyheptane

2-methyl-6-propan-2-yloxyheptane (PubChem CID 158226475) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yloxyheptane.

Molecular Properties

Compound Name2-methyl-6-propan-2-yloxyheptane
PubChem CID158226475
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2-methyl-6-propan-2-yloxyheptane
SMILESCC(C)CCCC(C)OC(C)C
InChIInChI=1S/C11H24O/c1-9(2)7-6-8-11(5)12-10(3)4/h9-11H,6-8H2,1-5H3
InChIKeyWEWYRPIXYNRYNI-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-6-propan-2-yloxyheptane 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-methyl-8-(8-methylnonan-2-yloxy)nonane
CID 175712820
2-hexan-2-yloxy-5-methylhexane
CID 91272362
2,5,9,13-tetramethyltetradecane
CID 58292409
5-methylhexane-1-thiol
CID 18699074
(4S)-2-methyl-4-propan-2-yloxypentane
CID 155647514
10-methylundecane-1-thiol
CID 18538216
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
1-butoxy-3-propan-2-yloxybutane
CID 173255179
2-(6-methylheptan-2-yloxy)acetaldehyde
CID 86642025
1-ethoxy-3-propan-2-yloxybutane
CID 154176409
tris(2,7-dimethyloctane);ethane;methane
CID 159869544

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yloxyheptane?
The IUPAC name of 2-methyl-6-propan-2-yloxyheptane (CID 158226475) is 2-methyl-6-propan-2-yloxyheptane.
What is the SMILES notation for 2-methyl-6-propan-2-yloxyheptane?
The canonical SMILES for 2-methyl-6-propan-2-yloxyheptane is CC(C)CCCC(C)OC(C)C.
What is the InChIKey of 2-methyl-6-propan-2-yloxyheptane?
The InChIKey is WEWYRPIXYNRYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-9(2)7-6-8-11(5)12-10(3)4/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-methyl-6-propan-2-yloxyheptane?
2-methyl-6-propan-2-yloxyheptane has a molecular weight of 172.31 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yloxyheptane is sourced from PubChem (CID 158226475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).