2,3,4,5,6-pentamethyloxane

C10H20O — CID 3490367

IUPAC2,3,4,5,6-pentamethyloxane
SMILESCC1OC(C)C(C)C(C)C1C
InChIInChI=1S/C10H20O/c1-6-7(2)9(4)11-10(5)8(6)3/h6-10H,1-5H3
InChIKeyDLENZAYIWZDJFK-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.70
Rot. Bonds

About 2,3,4,5,6-pentamethyloxane

2,3,4,5,6-pentamethyloxane (PubChem CID 3490367) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyloxane.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyloxane
PubChem CID3490367
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2,3,4,5,6-pentamethyloxane
SMILESCC1OC(C)C(C)C(C)C1C
InChIInChI=1S/C10H20O/c1-6-7(2)9(4)11-10(5)8(6)3/h6-10H,1-5H3
InChIKeyDLENZAYIWZDJFK-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyloxane?
The IUPAC name of 2,3,4,5,6-pentamethyloxane (CID 3490367) is 2,3,4,5,6-pentamethyloxane.
What is the SMILES notation for 2,3,4,5,6-pentamethyloxane?
The canonical SMILES for 2,3,4,5,6-pentamethyloxane is CC1OC(C)C(C)C(C)C1C.
What is the InChIKey of 2,3,4,5,6-pentamethyloxane?
The InChIKey is DLENZAYIWZDJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-6-7(2)9(4)11-10(5)8(6)3/h6-10H,1-5H3.
What are the key properties of 2,3,4,5,6-pentamethyloxane?
2,3,4,5,6-pentamethyloxane has a molecular weight of 156.27 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyloxane is sourced from PubChem (CID 3490367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).