1-(4-ethoxyoxan-4-yl)-3-methylbut-3-en-1-ol

C12H22O3 — CID 116754270

IUPAC1-(4-ethoxyoxan-4-yl)-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(O)C1(OCC)CCOCC1
InChIInChI=1S/C12H22O3/c1-4-15-12(5-7-14-8-6-12)11(13)9-10(2)3/h11,13H,2,4-9H2,1,3H3
InChIKeyBFAOFCOFKLDBCQ-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.90
Rot. Bonds5

About 1-(4-ethoxyoxan-4-yl)-3-methylbut-3-en-1-ol

1-(4-ethoxyoxan-4-yl)-3-methylbut-3-en-1-ol (PubChem CID 116754270) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-3-methylbut-3-en-1-ol.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-3-methylbut-3-en-1-ol
PubChem CID116754270
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-(4-ethoxyoxan-4-yl)-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(O)C1(OCC)CCOCC1
InChIInChI=1S/C12H22O3/c1-4-15-12(5-7-14-8-6-12)11(13)9-10(2)3/h11,13H,2,4-9H2,1,3H3
InChIKeyBFAOFCOFKLDBCQ-UHFFFAOYSA-N
XLogP1.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.90
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

1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
1-(4-ethoxyoxan-4-yl)nonan-1-ol
CID 116754253
[1-(4-ethoxyoxan-4-yl)-4-methylpent-4-enyl]hydrazine
CID 105276837
1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol
CID 104610434
2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754158
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754344
1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol
CID 116753033
1-(1-ethoxycycloheptyl)butan-1-ol
CID 116756084
2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol
CID 116754069
2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol
CID 116779682
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754296
1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol
CID 116754334

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-3-methylbut-3-en-1-ol?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-3-methylbut-3-en-1-ol (CID 116754270) is 1-(4-ethoxyoxan-4-yl)-3-methylbut-3-en-1-ol.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-3-methylbut-3-en-1-ol?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-3-methylbut-3-en-1-ol is C=C(C)CC(O)C1(OCC)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-3-methylbut-3-en-1-ol?
The InChIKey is BFAOFCOFKLDBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-15-12(5-7-14-8-6-12)11(13)9-10(2)3/h11,13H,2,4-9H2,1,3H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-3-methylbut-3-en-1-ol?
1-(4-ethoxyoxan-4-yl)-3-methylbut-3-en-1-ol has a molecular weight of 214.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)-3-methylbut-3-en-1-ol is sourced from PubChem (CID 116754270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).