1-methoxy-2-methyl-2-(prop-2-enoxymethyl)butan-1-ol

C10H20O3 — CID 87199324

IUPAC1-methoxy-2-methyl-2-(prop-2-enoxymethyl)butan-1-ol
SMILESC=CCOCC(C)(CC)C(O)OC
InChIInChI=1S/C10H20O3/c1-5-7-13-8-10(3,6-2)9(11)12-4/h5,9,11H,1,6-8H2,2-4H3
InChIKeyWVOPWHGQRDOWEY-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.57
Rot. Bonds7

About 1-methoxy-2-methyl-2-(prop-2-enoxymethyl)butan-1-ol

1-methoxy-2-methyl-2-(prop-2-enoxymethyl)butan-1-ol (PubChem CID 87199324) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-methoxy-2-methyl-2-(prop-2-enoxymethyl)butan-1-ol.

Molecular Properties

Compound Name1-methoxy-2-methyl-2-(prop-2-enoxymethyl)butan-1-ol
PubChem CID87199324
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1-methoxy-2-methyl-2-(prop-2-enoxymethyl)butan-1-ol
SMILESC=CCOCC(C)(CC)C(O)OC
InChIInChI=1S/C10H20O3/c1-5-7-13-8-10(3,6-2)9(11)12-4/h5,9,11H,1,6-8H2,2-4H3
InChIKeyWVOPWHGQRDOWEY-UHFFFAOYSA-N
XLogP1.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.57
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

2-[[2-[hydroxy(methoxy)methyl]-2-methylbutoxy]carbonylamino]ethyl prop-2-enoate
CID 89003454
1-methoxy-2,2-dimethylbutan-1-ol
CID 20675645
propane-1,1,1-triol;3-prop-2-enoxyprop-1-ene
CID 175245535
2,2-bis(prop-2-enoxymethyl)butan-1-ol;titanium(3+)
CID 175725412
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol
CID 88725463
3,5-diethyl-3,5-dimethylheptan-4-ol
CID 58905143
(2-ethyl-1-hydroxy-2-methylbutyl) prop-2-enoate
CID 154606970
6-ethyl-6-(prop-2-enoxymethyl)heptane-1,3,7-triol
CID 87260134
2-ethyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)butan-1-ol
CID 155242968
4-[2,2-bis(prop-2-enoxymethyl)butoxy]-2-hydroxy-4-oxobutanoic acid
CID 90473270
4-ethyl-3,4-dimethylhex-1-ene
CID 19044878
2-methyl-2-(prop-2-enoxymethyl)butane-1,4-diol
CID 139805885

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-2-(prop-2-enoxymethyl)butan-1-ol?
The IUPAC name of 1-methoxy-2-methyl-2-(prop-2-enoxymethyl)butan-1-ol (CID 87199324) is 1-methoxy-2-methyl-2-(prop-2-enoxymethyl)butan-1-ol.
What is the SMILES notation for 1-methoxy-2-methyl-2-(prop-2-enoxymethyl)butan-1-ol?
The canonical SMILES for 1-methoxy-2-methyl-2-(prop-2-enoxymethyl)butan-1-ol is C=CCOCC(C)(CC)C(O)OC.
What is the InChIKey of 1-methoxy-2-methyl-2-(prop-2-enoxymethyl)butan-1-ol?
The InChIKey is WVOPWHGQRDOWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-7-13-8-10(3,6-2)9(11)12-4/h5,9,11H,1,6-8H2,2-4H3.
What are the key properties of 1-methoxy-2-methyl-2-(prop-2-enoxymethyl)butan-1-ol?
1-methoxy-2-methyl-2-(prop-2-enoxymethyl)butan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-2-(prop-2-enoxymethyl)butan-1-ol is sourced from PubChem (CID 87199324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).