1-ethoxy-4-methylpent-4-en-2-ol

C8H16O2 — CID 79178687

IUPAC1-ethoxy-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(O)COCC
InChIInChI=1S/C8H16O2/c1-4-10-6-8(9)5-7(2)3/h8-9H,2,4-6H2,1,3H3
InChIKeyCKRIOTISEIZVHI-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.35
Rot. Bonds5

About 1-ethoxy-4-methylpent-4-en-2-ol

1-ethoxy-4-methylpent-4-en-2-ol (PubChem CID 79178687) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-ethoxy-4-methylpent-4-en-2-ol.

Molecular Properties

Compound Name1-ethoxy-4-methylpent-4-en-2-ol
PubChem CID79178687
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-ethoxy-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(O)COCC
InChIInChI=1S/C8H16O2/c1-4-10-6-8(9)5-7(2)3/h8-9H,2,4-6H2,1,3H3
InChIKeyCKRIOTISEIZVHI-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.35
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

1-ethoxy-4-methylidenehexan-2-ol
CID 66046480
1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616793
1-ethoxy-3-prop-2-enoxypropan-2-ol
CID 10953806
1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
CID 172513845
3-chloro-1-ethoxybut-3-en-2-ol
CID 130124858
(4R,6R)-2,8-dimethylnona-1,8-diene-4,6-diol
CID 134964814
1-ethoxypentan-2-ol
CID 21201051
1-fluoro-4-methylpent-4-en-2-ol
CID 141111870
1-[2-hydroxy-3-(2-methylprop-2-enoxy)propoxy]-3-(2-methylprop-2-enoxy)propan-2-ol
CID 87094768
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
sodium;3-ethoxypropane-1,2-diol;hydride
CID 173234204
(2S)-4-methyl-1-(3-methylhexan-3-yloxy)pent-4-en-2-ol
CID 166999277

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-methylpent-4-en-2-ol?
The IUPAC name of 1-ethoxy-4-methylpent-4-en-2-ol (CID 79178687) is 1-ethoxy-4-methylpent-4-en-2-ol.
What is the SMILES notation for 1-ethoxy-4-methylpent-4-en-2-ol?
The canonical SMILES for 1-ethoxy-4-methylpent-4-en-2-ol is C=C(C)CC(O)COCC.
What is the InChIKey of 1-ethoxy-4-methylpent-4-en-2-ol?
The InChIKey is CKRIOTISEIZVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-10-6-8(9)5-7(2)3/h8-9H,2,4-6H2,1,3H3.
What are the key properties of 1-ethoxy-4-methylpent-4-en-2-ol?
1-ethoxy-4-methylpent-4-en-2-ol has a molecular weight of 144.21 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-methylpent-4-en-2-ol is sourced from PubChem (CID 79178687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).