3,5-dimethyl-2-propyloxane

C10H20O — CID 91467141

IUPAC3,5-dimethyl-2-propyloxane
SMILESCCCC1OCC(C)CC1C
InChIInChI=1S/C10H20O/c1-4-5-10-9(3)6-8(2)7-11-10/h8-10H,4-7H2,1-3H3
InChIKeyOIJZSZKWHZYHFE-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.85
Rot. Bonds2

About 3,5-dimethyl-2-propyloxane

3,5-dimethyl-2-propyloxane (PubChem CID 91467141) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3,5-dimethyl-2-propyloxane.

Molecular Properties

Compound Name3,5-dimethyl-2-propyloxane
PubChem CID91467141
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3,5-dimethyl-2-propyloxane
SMILESCCCC1OCC(C)CC1C
InChIInChI=1S/C10H20O/c1-4-5-10-9(3)6-8(2)7-11-10/h8-10H,4-7H2,1-3H3
InChIKeyOIJZSZKWHZYHFE-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-propyloxane?
The IUPAC name of 3,5-dimethyl-2-propyloxane (CID 91467141) is 3,5-dimethyl-2-propyloxane.
What is the SMILES notation for 3,5-dimethyl-2-propyloxane?
The canonical SMILES for 3,5-dimethyl-2-propyloxane is CCCC1OCC(C)CC1C.
What is the InChIKey of 3,5-dimethyl-2-propyloxane?
The InChIKey is OIJZSZKWHZYHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-5-10-9(3)6-8(2)7-11-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-propyloxane?
3,5-dimethyl-2-propyloxane has a molecular weight of 156.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-propyloxane is sourced from PubChem (CID 91467141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).