2,2-dipropyloxane

C11H22O — CID 142864189

IUPAC2,2-dipropyloxane
SMILESCCCC1(CCC)CCCCO1
InChIInChI=1S/C11H22O/c1-3-7-11(8-4-2)9-5-6-10-12-11/h3-10H2,1-2H3
InChIKeySTNRQPAVGAWJCW-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.53
Rot. Bonds4

About 2,2-dipropyloxane

2,2-dipropyloxane (PubChem CID 142864189) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2,2-dipropyloxane.

Molecular Properties

Compound Name2,2-dipropyloxane
PubChem CID142864189
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2,2-dipropyloxane
SMILESCCCC1(CCC)CCCCO1
InChIInChI=1S/C11H22O/c1-3-7-11(8-4-2)9-5-6-10-12-11/h3-10H2,1-2H3
InChIKeySTNRQPAVGAWJCW-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dipropyloxane?
The IUPAC name of 2,2-dipropyloxane (CID 142864189) is 2,2-dipropyloxane.
What is the SMILES notation for 2,2-dipropyloxane?
The canonical SMILES for 2,2-dipropyloxane is CCCC1(CCC)CCCCO1.
What is the InChIKey of 2,2-dipropyloxane?
The InChIKey is STNRQPAVGAWJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-7-11(8-4-2)9-5-6-10-12-11/h3-10H2,1-2H3.
What are the key properties of 2,2-dipropyloxane?
2,2-dipropyloxane has a molecular weight of 170.30 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dipropyloxane is sourced from PubChem (CID 142864189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).