3-methyl-1-propoxypentane

C9H20O — CID 123388243

IUPAC3-methyl-1-propoxypentane
SMILESCCCOCCC(C)CC
InChIInChI=1S/C9H20O/c1-4-7-10-8-6-9(3)5-2/h9H,4-8H2,1-3H3
InChIKeyHVEODPDKZYSBHH-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.85
Rot. Bonds6

About 3-methyl-1-propoxypentane

3-methyl-1-propoxypentane (PubChem CID 123388243) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-methyl-1-propoxypentane.

Molecular Properties

Compound Name3-methyl-1-propoxypentane
PubChem CID123388243
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name3-methyl-1-propoxypentane
SMILESCCCOCCC(C)CC
InChIInChI=1S/C9H20O/c1-4-7-10-8-6-9(3)5-2/h9H,4-8H2,1-3H3
InChIKeyHVEODPDKZYSBHH-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(2-fluoroethoxy)-3-methylpentane
CID 130394752
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane
CID 172857942
N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 178164668
N,5-dimethyl-1-propoxyheptan-3-amine
CID 105138301
1,5-dipropoxy-3-(2-propoxyethyl)pentane
CID 58572257
(5-methyl-1-propoxyheptan-3-yl)hydrazine
CID 105298541
N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 176934271
N,N-dimethyl-4-propoxybutan-2-amine
CID 57318185
1-dodecoxydodecane;3-methylheptane
CID 174412934
4-chloro-3-ethyl-1-propoxypentane
CID 106455983
2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-(2-propoxyethoxy)ethoxy]propane
CID 162194347

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propoxypentane?
The IUPAC name of 3-methyl-1-propoxypentane (CID 123388243) is 3-methyl-1-propoxypentane.
What is the SMILES notation for 3-methyl-1-propoxypentane?
The canonical SMILES for 3-methyl-1-propoxypentane is CCCOCCC(C)CC.
What is the InChIKey of 3-methyl-1-propoxypentane?
The InChIKey is HVEODPDKZYSBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-4-7-10-8-6-9(3)5-2/h9H,4-8H2,1-3H3.
What are the key properties of 3-methyl-1-propoxypentane?
3-methyl-1-propoxypentane has a molecular weight of 144.26 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propoxypentane is sourced from PubChem (CID 123388243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).