3,3-diethyl-1-methoxypentane

C10H22O — CID 18716379

IUPAC3,3-diethyl-1-methoxypentane
SMILESCCC(CC)(CC)CCOC
InChIInChI=1S/C10H22O/c1-5-10(6-2,7-3)8-9-11-4/h5-9H2,1-4H3
InChIKeyMRLXOOBQJQHEHU-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds6

About 3,3-diethyl-1-methoxypentane

3,3-diethyl-1-methoxypentane (PubChem CID 18716379) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3,3-diethyl-1-methoxypentane.

Molecular Properties

Compound Name3,3-diethyl-1-methoxypentane
PubChem CID18716379
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3,3-diethyl-1-methoxypentane
SMILESCCC(CC)(CC)CCOC
InChIInChI=1S/C10H22O/c1-5-10(6-2,7-3)8-9-11-4/h5-9H2,1-4H3
InChIKeyMRLXOOBQJQHEHU-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-methoxypentane?
The IUPAC name of 3,3-diethyl-1-methoxypentane (CID 18716379) is 3,3-diethyl-1-methoxypentane.
What is the SMILES notation for 3,3-diethyl-1-methoxypentane?
The canonical SMILES for 3,3-diethyl-1-methoxypentane is CCC(CC)(CC)CCOC.
What is the InChIKey of 3,3-diethyl-1-methoxypentane?
The InChIKey is MRLXOOBQJQHEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-5-10(6-2,7-3)8-9-11-4/h5-9H2,1-4H3.
What are the key properties of 3,3-diethyl-1-methoxypentane?
3,3-diethyl-1-methoxypentane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-methoxypentane is sourced from PubChem (CID 18716379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).