2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol

C10H18O2 — CID 164680699

IUPAC2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol
SMILESC=CC(C)(CO)OCCC(=C)C
InChIInChI=1S/C10H18O2/c1-5-10(4,8-11)12-7-6-9(2)3/h5,11H,1-2,6-8H2,3-4H3
InChIKeyHKQCLTJYZZUBQM-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.91
Rot. Bonds6

About 2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol

2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol (PubChem CID 164680699) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol.

Molecular Properties

Compound Name2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol
PubChem CID164680699
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol
SMILESC=CC(C)(CO)OCCC(=C)C
InChIInChI=1S/C10H18O2/c1-5-10(4,8-11)12-7-6-9(2)3/h5,11H,1-2,6-8H2,3-4H3
InChIKeyHKQCLTJYZZUBQM-UHFFFAOYSA-N
XLogP1.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-pent-4-enoxybut-3-en-1-ol
CID 20697432
3-[(2R)-1-hydroxy-2-methylbut-3-en-2-yl]oxypropanenitrile
CID 100946655
2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol
CID 170336565
3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine
CID 155082784
2-methylbuta-1,3-diene;3-methylbut-3-en-1-ol
CID 89443123
3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)
CID 174260323
(1-hydroxy-2-methylbut-3-en-2-yl)oxy nitrate
CID 177417708
2-methyl-2-[methyl(3-methylbut-3-enyl)amino]propan-1-ol
CID 114449001
2-methylbutan-2-ol;3-methylbut-3-en-1-ol
CID 87324008
N-(2-ethoxy-2-methylpropyl)-3-methylbut-3-en-1-amine
CID 114941946
3-(2-methylbut-3-en-2-yloxy)propane-1,2-diol
CID 171441788
3-methylidene-1,5-bis[(2-methylpropan-2-yl)oxy]pentane
CID 146216381

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol?
The IUPAC name of 2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol (CID 164680699) is 2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol.
What is the SMILES notation for 2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol?
The canonical SMILES for 2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol is C=CC(C)(CO)OCCC(=C)C.
What is the InChIKey of 2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol?
The InChIKey is HKQCLTJYZZUBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-10(4,8-11)12-7-6-9(2)3/h5,11H,1-2,6-8H2,3-4H3.
What are the key properties of 2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol?
2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol is sourced from PubChem (CID 164680699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).