4-ethoxy-4-ethyl-5-methylhex-1-en-3-ol

C11H22O2 — CID 88835222

IUPAC4-ethoxy-4-ethyl-5-methylhex-1-en-3-ol
SMILESC=CC(O)C(CC)(OCC)C(C)C
InChIInChI=1S/C11H22O2/c1-6-10(12)11(7-2,9(4)5)13-8-3/h6,9-10,12H,1,7-8H2,2-5H3
InChIKeyBMIGYYLRRBGENM-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.37
Rot. Bonds6

About 4-ethoxy-4-ethyl-5-methylhex-1-en-3-ol

4-ethoxy-4-ethyl-5-methylhex-1-en-3-ol (PubChem CID 88835222) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 4-ethoxy-4-ethyl-5-methylhex-1-en-3-ol.

Molecular Properties

Compound Name4-ethoxy-4-ethyl-5-methylhex-1-en-3-ol
PubChem CID88835222
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name4-ethoxy-4-ethyl-5-methylhex-1-en-3-ol
SMILESC=CC(O)C(CC)(OCC)C(C)C
InChIInChI=1S/C11H22O2/c1-6-10(12)11(7-2,9(4)5)13-8-3/h6,9-10,12H,1,7-8H2,2-5H3
InChIKeyBMIGYYLRRBGENM-UHFFFAOYSA-N
XLogP2.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.37
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

3-ethyl-3-methoxy-2,4-dimethylpentane
CID 23384912
4-ethyl-4-methoxy-5-methylhexan-3-ol
CID 23385015
2-ethoxy-2-ethyl-3-methylbutanoic acid
CID 116768994
1,1,1-triethoxypropan-2-ol
CID 87156976
3-ethyl-4-methyl-3-propan-2-ylpent-1-ene
CID 141443775
3,3-diethoxy-2,4-dimethylpentane
CID 11788732
(2-ethoxy-2-ethyl-1-hydroxybutyl)-trimethylazanium
CID 18678106
(5Z)-4,4-dimethylocta-1,5-dien-3-ol
CID 173450369
prop-2-enoic acid;1,1,1-triethoxypropane
CID 174826427
4-ethoxy-N-ethyl-4-methylhex-1-en-3-amine
CID 116759022
(3R,4R,5S)-3,5-dimethylhept-1-en-4-ol
CID 12703990
ethane;2-ethoxy-2,3-dimethylbutane
CID 169190788

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-ethyl-5-methylhex-1-en-3-ol?
The IUPAC name of 4-ethoxy-4-ethyl-5-methylhex-1-en-3-ol (CID 88835222) is 4-ethoxy-4-ethyl-5-methylhex-1-en-3-ol.
What is the SMILES notation for 4-ethoxy-4-ethyl-5-methylhex-1-en-3-ol?
The canonical SMILES for 4-ethoxy-4-ethyl-5-methylhex-1-en-3-ol is C=CC(O)C(CC)(OCC)C(C)C.
What is the InChIKey of 4-ethoxy-4-ethyl-5-methylhex-1-en-3-ol?
The InChIKey is BMIGYYLRRBGENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-6-10(12)11(7-2,9(4)5)13-8-3/h6,9-10,12H,1,7-8H2,2-5H3.
What are the key properties of 4-ethoxy-4-ethyl-5-methylhex-1-en-3-ol?
4-ethoxy-4-ethyl-5-methylhex-1-en-3-ol has a molecular weight of 186.29 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-ethyl-5-methylhex-1-en-3-ol is sourced from PubChem (CID 88835222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).