but-3-enoxymethoxymethanol

C6H12O3 — CID 101038946

IUPACbut-3-enoxymethoxymethanol
SMILESC=CCCOCOCO
InChIInChI=1S/C6H12O3/c1-2-3-4-8-6-9-5-7/h2,7H,1,3-6H2
InChIKeyCMFLGKVYLHCCMA-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.50
Rot. Bonds6

About but-3-enoxymethoxymethanol

but-3-enoxymethoxymethanol (PubChem CID 101038946) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is but-3-enoxymethoxymethanol.

Molecular Properties

Compound Namebut-3-enoxymethoxymethanol
PubChem CID101038946
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namebut-3-enoxymethoxymethanol
SMILESC=CCCOCOCO
InChIInChI=1S/C6H12O3/c1-2-3-4-8-6-9-5-7/h2,7H,1,3-6H2
InChIKeyCMFLGKVYLHCCMA-UHFFFAOYSA-N
XLogP0.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene
CID 57202172
but-3-enoxymethoxy(hydroxy)silane
CID 154087437
5-(pent-4-enoxymethoxy)pent-1-ene
CID 102227605
4-ethoxybut-1-ene
CID 533994
4-but-3-enoxybutane-1,2-diol
CID 171403139
2-(but-3-enoxymethyl)prop-2-ene-1-thiol
CID 103073592
4-but-3-enoxybutanoic acid
CID 10329531
4-but-3-enoxy-2-methylidenebutanoic acid
CID 89346702
4-but-3-enoxybutan-1-amine
CID 62443068
hydroxymethyl pent-4-enoate
CID 175918381
5-but-3-enoxypentan-2-one
CID 62031380
1-bromo-9-but-3-enoxynonane
CID 105343299

Frequently Asked Questions

What is the IUPAC name of but-3-enoxymethoxymethanol?
The IUPAC name of but-3-enoxymethoxymethanol (CID 101038946) is but-3-enoxymethoxymethanol.
What is the SMILES notation for but-3-enoxymethoxymethanol?
The canonical SMILES for but-3-enoxymethoxymethanol is C=CCCOCOCO.
What is the InChIKey of but-3-enoxymethoxymethanol?
The InChIKey is CMFLGKVYLHCCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-2-3-4-8-6-9-5-7/h2,7H,1,3-6H2.
What are the key properties of but-3-enoxymethoxymethanol?
but-3-enoxymethoxymethanol has a molecular weight of 132.16 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoxymethoxymethanol is sourced from PubChem (CID 101038946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).