5-ethyl-3,4-dimethyl-2-(3-methylbut-1-enyl)oxolan-2-ol

C13H24O2 — CID 123382656

IUPAC5-ethyl-3,4-dimethyl-2-(3-methylbut-1-enyl)oxolan-2-ol
SMILESCCC1OC(O)(C=CC(C)C)C(C)C1C
InChIInChI=1S/C13H24O2/c1-6-12-10(4)11(5)13(14,15-12)8-7-9(2)3/h7-12,14H,6H2,1-5H3
InChIKeyZTTAXQVRAXOOLO-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.97
Rot. Bonds3

About 5-ethyl-3,4-dimethyl-2-(3-methylbut-1-enyl)oxolan-2-ol

5-ethyl-3,4-dimethyl-2-(3-methylbut-1-enyl)oxolan-2-ol (PubChem CID 123382656) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 5-ethyl-3,4-dimethyl-2-(3-methylbut-1-enyl)oxolan-2-ol.

Molecular Properties

Compound Name5-ethyl-3,4-dimethyl-2-(3-methylbut-1-enyl)oxolan-2-ol
PubChem CID123382656
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name5-ethyl-3,4-dimethyl-2-(3-methylbut-1-enyl)oxolan-2-ol
SMILESCCC1OC(O)(C=CC(C)C)C(C)C1C
InChIInChI=1S/C13H24O2/c1-6-12-10(4)11(5)13(14,15-12)8-7-9(2)3/h7-12,14H,6H2,1-5H3
InChIKeyZTTAXQVRAXOOLO-UHFFFAOYSA-N
XLogP2.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.97
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

(E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol
CID 162905306
(2S,3R,3aR,6E,10E,11aS)-3,6,10-trimethyl-2-[(E)-3-methylbut-1-enyl]-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-ol
CID 162915789
(2S,3aS,6Z,10E,11aS)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-ol
CID 162981569
(2S,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-ol
CID 163191300
Trichobisabolin G
CID 146683371
(2R,3S,5S)-3,5-diethyl-2-methyl-5-[(E)-pent-1-enyl]oxolan-2-ol
CID 163049458
3,5,5-Trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol
CID 70371690
5-[(E)-2-cyclohexylethenyl]oxolan-2-ol
CID 101369826
(E)-3-(3,5-dimethyloxolan-2-yl)but-2-en-1-ol
CID 177535352
3-(7-Oxabicyclo[2.2.1]hept-5-en-2-yl)pentan-3-ol
CID 19743621
3,5,5-trimethyl-4-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol
CID 58005042
(E)-3-[(2R)-4,5-dimethyloxolan-2-yl]prop-2-en-1-ol
CID 58723061

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-dimethyl-2-(3-methylbut-1-enyl)oxolan-2-ol?
The IUPAC name of 5-ethyl-3,4-dimethyl-2-(3-methylbut-1-enyl)oxolan-2-ol (CID 123382656) is 5-ethyl-3,4-dimethyl-2-(3-methylbut-1-enyl)oxolan-2-ol.
What is the SMILES notation for 5-ethyl-3,4-dimethyl-2-(3-methylbut-1-enyl)oxolan-2-ol?
The canonical SMILES for 5-ethyl-3,4-dimethyl-2-(3-methylbut-1-enyl)oxolan-2-ol is CCC1OC(O)(C=CC(C)C)C(C)C1C.
What is the InChIKey of 5-ethyl-3,4-dimethyl-2-(3-methylbut-1-enyl)oxolan-2-ol?
The InChIKey is ZTTAXQVRAXOOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-6-12-10(4)11(5)13(14,15-12)8-7-9(2)3/h7-12,14H,6H2,1-5H3.
What are the key properties of 5-ethyl-3,4-dimethyl-2-(3-methylbut-1-enyl)oxolan-2-ol?
5-ethyl-3,4-dimethyl-2-(3-methylbut-1-enyl)oxolan-2-ol has a molecular weight of 212.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-dimethyl-2-(3-methylbut-1-enyl)oxolan-2-ol is sourced from PubChem (CID 123382656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).