3-(methoxymethyl)-2-methylpent-1-en-3-ol

C8H16O2 — CID 79190683

IUPAC3-(methoxymethyl)-2-methylpent-1-en-3-ol
SMILESC=C(C)C(O)(CC)COC
InChIInChI=1S/C8H16O2/c1-5-8(9,6-10-4)7(2)3/h9H,2,5-6H2,1,3-4H3
InChIKeyZRRLQWVSRIBODE-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.35
Rot. Bonds4

About 3-(methoxymethyl)-2-methylpent-1-en-3-ol

3-(methoxymethyl)-2-methylpent-1-en-3-ol (PubChem CID 79190683) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-methylpent-1-en-3-ol.

Molecular Properties

Compound Name3-(methoxymethyl)-2-methylpent-1-en-3-ol
PubChem CID79190683
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-(methoxymethyl)-2-methylpent-1-en-3-ol
SMILESC=C(C)C(O)(CC)COC
InChIInChI=1S/C8H16O2/c1-5-8(9,6-10-4)7(2)3/h9H,2,5-6H2,1,3-4H3
InChIKeyZRRLQWVSRIBODE-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-methylpent-1-en-3-ol?
The IUPAC name of 3-(methoxymethyl)-2-methylpent-1-en-3-ol (CID 79190683) is 3-(methoxymethyl)-2-methylpent-1-en-3-ol.
What is the SMILES notation for 3-(methoxymethyl)-2-methylpent-1-en-3-ol?
The canonical SMILES for 3-(methoxymethyl)-2-methylpent-1-en-3-ol is C=C(C)C(O)(CC)COC.
What is the InChIKey of 3-(methoxymethyl)-2-methylpent-1-en-3-ol?
The InChIKey is ZRRLQWVSRIBODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-8(9,6-10-4)7(2)3/h9H,2,5-6H2,1,3-4H3.
What are the key properties of 3-(methoxymethyl)-2-methylpent-1-en-3-ol?
3-(methoxymethyl)-2-methylpent-1-en-3-ol has a molecular weight of 144.21 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-methylpent-1-en-3-ol is sourced from PubChem (CID 79190683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).