1-methoxy-2-methylpent-4-en-2-ol

C7H14O2 — CID 79735118

IUPAC1-methoxy-2-methylpent-4-en-2-ol
SMILESC=CCC(C)(O)COC
InChIInChI=1S/C7H14O2/c1-4-5-7(2,8)6-9-3/h4,8H,1,5-6H2,2-3H3
InChIKeyWASZZZKDFSZNDY-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.96
Rot. Bonds4

About 1-methoxy-2-methylpent-4-en-2-ol

1-methoxy-2-methylpent-4-en-2-ol (PubChem CID 79735118) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-methoxy-2-methylpent-4-en-2-ol.

Molecular Properties

Compound Name1-methoxy-2-methylpent-4-en-2-ol
PubChem CID79735118
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name1-methoxy-2-methylpent-4-en-2-ol
SMILESC=CCC(C)(O)COC
InChIInChI=1S/C7H14O2/c1-4-5-7(2,8)6-9-3/h4,8H,1,5-6H2,2-3H3
InChIKeyWASZZZKDFSZNDY-UHFFFAOYSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.96
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 1-methoxy-2-methylpent-4-en-2-ol?
The IUPAC name of 1-methoxy-2-methylpent-4-en-2-ol (CID 79735118) is 1-methoxy-2-methylpent-4-en-2-ol.
What is the SMILES notation for 1-methoxy-2-methylpent-4-en-2-ol?
The canonical SMILES for 1-methoxy-2-methylpent-4-en-2-ol is C=CCC(C)(O)COC.
What is the InChIKey of 1-methoxy-2-methylpent-4-en-2-ol?
The InChIKey is WASZZZKDFSZNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-5-7(2,8)6-9-3/h4,8H,1,5-6H2,2-3H3.
What are the key properties of 1-methoxy-2-methylpent-4-en-2-ol?
1-methoxy-2-methylpent-4-en-2-ol has a molecular weight of 130.19 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylpent-4-en-2-ol is sourced from PubChem (CID 79735118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).