3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol

C10H18O3 — CID 71330033

IUPAC3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
SMILESCC(=CCO)COC1CCCCO1
InChIInChI=1S/C10H18O3/c1-9(5-6-11)8-13-10-4-2-3-7-12-10/h5,10-11H,2-4,6-8H2,1H3
InChIKeyTUYPANXAHAOQGY-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.47
Rot. Bonds4

About 3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol

3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol (PubChem CID 71330033) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol.

Molecular Properties

Compound Name3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
PubChem CID71330033
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
SMILESCC(=CCO)COC1CCCCO1
InChIInChI=1S/C10H18O3/c1-9(5-6-11)8-13-10-4-2-3-7-12-10/h5,10-11H,2-4,6-8H2,1H3
InChIKeyTUYPANXAHAOQGY-UHFFFAOYSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
CID 122523167
2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane
CID 10775534
[(E)-3-methyl-4-(oxan-2-yloxy)but-2-enyl] acetate
CID 11096364
2-[(E)-7-iodo-2-methylhept-2-enoxy]oxane
CID 10958679
[3-methyl-4-(oxan-2-yloxy)but-2-enyl] methanesulfonate
CID 90823584
(Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 59748857
2-[(E)-8,8-diiodo-2-methyloct-2-enoxy]oxane
CID 101499788
3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-3-ol
CID 67848539
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
[(2E,6E)-3,7-dimethyl-8-(oxolan-2-yloxy)octa-2,6-dienyl] acetate
CID 118148188
[(2E,6Z)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] acetate
CID 10469860
2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane
CID 135037180

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol?
The IUPAC name of 3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol (CID 71330033) is 3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol.
What is the SMILES notation for 3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol?
The canonical SMILES for 3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol is CC(=CCO)COC1CCCCO1.
What is the InChIKey of 3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol?
The InChIKey is TUYPANXAHAOQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(5-6-11)8-13-10-4-2-3-7-12-10/h5,10-11H,2-4,6-8H2,1H3.
What are the key properties of 3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol?
3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol has a molecular weight of 186.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol is sourced from PubChem (CID 71330033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).