3-methoxyprop-1-ene;3-methylbutan-1-ol

C9H20O2 — CID 87580492

IUPAC3-methoxyprop-1-ene;3-methylbutan-1-ol
SMILESC=CCOC.CC(C)CCO
InChIInChI=1S/C5H12O.C4H8O/c1-5(2)3-4-6;1-3-4-5-2/h5-6H,3-4H2,1-2H3;3H,1,4H2,2H3
InChIKeyCBUHDVOUMUTSCO-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.84
Rot. Bonds4

About 3-methoxyprop-1-ene;3-methylbutan-1-ol

3-methoxyprop-1-ene;3-methylbutan-1-ol (PubChem CID 87580492) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-methoxyprop-1-ene;3-methylbutan-1-ol.

Molecular Properties

Compound Name3-methoxyprop-1-ene;3-methylbutan-1-ol
PubChem CID87580492
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name3-methoxyprop-1-ene;3-methylbutan-1-ol
SMILESC=CCOC.CC(C)CCO
InChIInChI=1S/C5H12O.C4H8O/c1-5(2)3-4-6;1-3-4-5-2/h5-6H,3-4H2,1-2H3;3H,1,4H2,2H3
InChIKeyCBUHDVOUMUTSCO-UHFFFAOYSA-N
XLogP1.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methoxyprop-1-ene;3-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane-1,2-diol;3-methyl-1-prop-2-enoxybutane
CID 174750448
sodium;hydride;3-methylbutan-1-ol
CID 173128134
calcium;hydride;3-methylbutan-1-ol
CID 174734037
butan-1-ol;ethane;3-methoxyprop-1-ene
CID 142059621
butane-1,3-diol;3-prop-2-enoxyprop-1-ene
CID 22165027
chloro hypochlorite;bis(3-methylbutan-1-ol);vanadium
CID 88737111
chloroform;3-methylbutan-1-ol
CID 173101838
ethane;3-methylbutan-1-ol;propane
CID 163391548
but-1-ene;3-methoxyprop-1-ene
CID 157168477
formyl chloride;3-methylbutan-1-ol
CID 88598720
ethane-1,2-diol;3-methoxyprop-1-ene;bis(2-sulfanylacetic acid)
CID 174510953
3-prop-2-enoxypentane-1,5-diol
CID 22352605

Frequently Asked Questions

What is the IUPAC name of 3-methoxyprop-1-ene;3-methylbutan-1-ol?
The IUPAC name of 3-methoxyprop-1-ene;3-methylbutan-1-ol (CID 87580492) is 3-methoxyprop-1-ene;3-methylbutan-1-ol.
What is the SMILES notation for 3-methoxyprop-1-ene;3-methylbutan-1-ol?
The canonical SMILES for 3-methoxyprop-1-ene;3-methylbutan-1-ol is C=CCOC.CC(C)CCO.
What is the InChIKey of 3-methoxyprop-1-ene;3-methylbutan-1-ol?
The InChIKey is CBUHDVOUMUTSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C4H8O/c1-5(2)3-4-6;1-3-4-5-2/h5-6H,3-4H2,1-2H3;3H,1,4H2,2H3.
What are the key properties of 3-methoxyprop-1-ene;3-methylbutan-1-ol?
3-methoxyprop-1-ene;3-methylbutan-1-ol has a molecular weight of 160.26 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyprop-1-ene;3-methylbutan-1-ol is sourced from PubChem (CID 87580492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).