3-tert-butyl-5-methyloxane

C10H20O — CID 57121984

IUPAC3-tert-butyl-5-methyloxane
SMILESCC1COCC(C(C)(C)C)C1
InChIInChI=1S/C10H20O/c1-8-5-9(7-11-6-8)10(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyUEAPBPBSLHGQIU-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.71
Rot. Bonds

About 3-tert-butyl-5-methyloxane

3-tert-butyl-5-methyloxane (PubChem CID 57121984) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-tert-butyl-5-methyloxane.

Molecular Properties

Compound Name3-tert-butyl-5-methyloxane
PubChem CID57121984
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-tert-butyl-5-methyloxane
SMILESCC1COCC(C(C)(C)C)C1
InChIInChI=1S/C10H20O/c1-8-5-9(7-11-6-8)10(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyUEAPBPBSLHGQIU-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyloxane?
The IUPAC name of 3-tert-butyl-5-methyloxane (CID 57121984) is 3-tert-butyl-5-methyloxane.
What is the SMILES notation for 3-tert-butyl-5-methyloxane?
The canonical SMILES for 3-tert-butyl-5-methyloxane is CC1COCC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-5-methyloxane?
The InChIKey is UEAPBPBSLHGQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-8-5-9(7-11-6-8)10(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-tert-butyl-5-methyloxane?
3-tert-butyl-5-methyloxane has a molecular weight of 156.27 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyloxane is sourced from PubChem (CID 57121984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).