2-methyl-2-propoxypentane

C9H20O — CID 22000983

IUPAC2-methyl-2-propoxypentane
SMILESCCCOC(C)(C)CCC
InChIInChI=1S/C9H20O/c1-5-7-9(3,4)10-8-6-2/h5-8H2,1-4H3
InChIKeyQDPPCOVFCBKKFI-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.99
Rot. Bonds5

About 2-methyl-2-propoxypentane

2-methyl-2-propoxypentane (PubChem CID 22000983) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-methyl-2-propoxypentane.

Molecular Properties

Compound Name2-methyl-2-propoxypentane
PubChem CID22000983
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name2-methyl-2-propoxypentane
SMILESCCCOC(C)(C)CCC
InChIInChI=1S/C9H20O/c1-5-7-9(3,4)10-8-6-2/h5-8H2,1-4H3
InChIKeyQDPPCOVFCBKKFI-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propoxypentane?
The IUPAC name of 2-methyl-2-propoxypentane (CID 22000983) is 2-methyl-2-propoxypentane.
What is the SMILES notation for 2-methyl-2-propoxypentane?
The canonical SMILES for 2-methyl-2-propoxypentane is CCCOC(C)(C)CCC.
What is the InChIKey of 2-methyl-2-propoxypentane?
The InChIKey is QDPPCOVFCBKKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-5-7-9(3,4)10-8-6-2/h5-8H2,1-4H3.
What are the key properties of 2-methyl-2-propoxypentane?
2-methyl-2-propoxypentane has a molecular weight of 144.26 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propoxypentane is sourced from PubChem (CID 22000983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).