4-(2-methylpropyl)oxane

C9H18O — CID 22923698

IUPAC4-(2-methylpropyl)oxane
SMILESCC(C)CC1CCOCC1
InChIInChI=1S/C9H18O/c1-8(2)7-9-3-5-10-6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyFDZXGTMQTJUINZ-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds2

About 4-(2-methylpropyl)oxane

4-(2-methylpropyl)oxane (PubChem CID 22923698) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 4-(2-methylpropyl)oxane.

Molecular Properties

Compound Name4-(2-methylpropyl)oxane
PubChem CID22923698
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name4-(2-methylpropyl)oxane
SMILESCC(C)CC1CCOCC1
InChIInChI=1S/C9H18O/c1-8(2)7-9-3-5-10-6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyFDZXGTMQTJUINZ-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)oxane?
The IUPAC name of 4-(2-methylpropyl)oxane (CID 22923698) is 4-(2-methylpropyl)oxane.
What is the SMILES notation for 4-(2-methylpropyl)oxane?
The canonical SMILES for 4-(2-methylpropyl)oxane is CC(C)CC1CCOCC1.
What is the InChIKey of 4-(2-methylpropyl)oxane?
The InChIKey is FDZXGTMQTJUINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-8(2)7-9-3-5-10-6-4-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)oxane?
4-(2-methylpropyl)oxane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)oxane is sourced from PubChem (CID 22923698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).