3-(2-methylprop-2-enoxy)pentane

C9H18O — CID 123638560

IUPAC3-(2-methylprop-2-enoxy)pentane
SMILESC=C(C)COC(CC)CC
InChIInChI=1S/C9H18O/c1-5-9(6-2)10-7-8(3)4/h9H,3,5-7H2,1-2,4H3
InChIKeyLWUJWWXOQVXZGQ-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds5

About 3-(2-methylprop-2-enoxy)pentane

3-(2-methylprop-2-enoxy)pentane (PubChem CID 123638560) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoxy)pentane.

Molecular Properties

Compound Name3-(2-methylprop-2-enoxy)pentane
PubChem CID123638560
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-(2-methylprop-2-enoxy)pentane
SMILESC=C(C)COC(CC)CC
InChIInChI=1S/C9H18O/c1-5-9(6-2)10-7-8(3)4/h9H,3,5-7H2,1-2,4H3
InChIKeyLWUJWWXOQVXZGQ-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylprop-2-enoxy)butyl 2-methylprop-2-enoate
CID 153321870
N,N-dimethylmethanamine;3-(1-fluoropropoxy)-2-methylprop-1-ene
CID 87225126
dimethoxy-bis[1-(2-methylprop-2-enoxy)propyl]silane
CID 87898874
chloro-dimethyl-[(1S)-1-(2-methylprop-2-enoxy)propyl]silane
CID 87393831
[2-methyl-3-(2-methylprop-2-enoxy)pentan-2-yl]oxysilane
CID 173096676
2-methyl-3-(1-propoxyethoxy)prop-1-ene
CID 173289997
N,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine
CID 71583350
disilanyl-hydroxy-[1-(2-methylprop-2-enoxy)propyl]silane
CID 173408779
2,2-bis(2-methylprop-2-enoxy)acetic acid
CID 139999943
1-(2-methylprop-2-enoxy)prop-2-en-1-ol
CID 56607724
1-pentan-3-yloxy-6-prop-1-en-2-yloxyhexane
CID 88908375
3-(2-methylprop-2-enoxy)hexan-2-one
CID 143554575

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoxy)pentane?
The IUPAC name of 3-(2-methylprop-2-enoxy)pentane (CID 123638560) is 3-(2-methylprop-2-enoxy)pentane.
What is the SMILES notation for 3-(2-methylprop-2-enoxy)pentane?
The canonical SMILES for 3-(2-methylprop-2-enoxy)pentane is C=C(C)COC(CC)CC.
What is the InChIKey of 3-(2-methylprop-2-enoxy)pentane?
The InChIKey is LWUJWWXOQVXZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-5-9(6-2)10-7-8(3)4/h9H,3,5-7H2,1-2,4H3.
What are the key properties of 3-(2-methylprop-2-enoxy)pentane?
3-(2-methylprop-2-enoxy)pentane has a molecular weight of 142.24 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoxy)pentane is sourced from PubChem (CID 123638560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).