ethane;ethene;[(5E)-5-ethenyl-2,4,4-trimethylocta-5,7-dien-2-yl] acetate

C19H34O2 — CID 143775190

IUPACethane;ethene;[(5E)-5-ethenyl-2,4,4-trimethylocta-5,7-dien-2-yl] acetate
SMILESC=C.C=C/C=C(\C=C)C(C)(C)CC(C)(C)OC(C)=O.CC
InChIInChI=1S/C15H24O2.C2H6.C2H4/c1-8-10-13(9-2)14(4,5)11-15(6,7)17-12(3)16;2*1-2/h8-10H,1-2,11H2,3-7H3;1-2H3;1-2H2/b13-10+;;
InChIKeyUWUFOOCEVHTUGH-JFXLULTRSA-N
MW294.48 g/mol
LogP5.87
Rot. Bonds6

About ethane;ethene;[(5E)-5-ethenyl-2,4,4-trimethylocta-5,7-dien-2-yl] acetate

ethane;ethene;[(5E)-5-ethenyl-2,4,4-trimethylocta-5,7-dien-2-yl] acetate (PubChem CID 143775190) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is ethane;ethene;[(5E)-5-ethenyl-2,4,4-trimethylocta-5,7-dien-2-yl] acetate.

Molecular Properties

Compound Nameethane;ethene;[(5E)-5-ethenyl-2,4,4-trimethylocta-5,7-dien-2-yl] acetate
PubChem CID143775190
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Nameethane;ethene;[(5E)-5-ethenyl-2,4,4-trimethylocta-5,7-dien-2-yl] acetate
SMILESC=C.C=C/C=C(\C=C)C(C)(C)CC(C)(C)OC(C)=O.CC
InChIInChI=1S/C15H24O2.C2H6.C2H4/c1-8-10-13(9-2)14(4,5)11-15(6,7)17-12(3)16;2*1-2/h8-10H,1-2,11H2,3-7H3;1-2H3;1-2H2/b13-10+;;
InChIKeyUWUFOOCEVHTUGH-JFXLULTRSA-N
XLogP5.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;ethene;[(5E)-5-ethenyl-2,4,4-trimethylocta-5,7-dien-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-acetyloxy-2,4-dimethylpentan-2-yl) acetate;methane
CID 161391637
methyl 4-acetyloxy-2,2,4-trimethylpentanoate
CID 153354555
tert-butyl acetate;(2E)-2-ethenylpenta-2,4-dienoic acid
CID 143820914
ethane;(3E)-4-ethenyl-5,5,7-trimethylocta-1,3-diene;heptan-4-yl hydrogen carbonate
CID 142502654
(5E,7Z)-5-ethenyl-2,4,4-trimethyldeca-5,7,9-trien-2-amine
CID 138630940
(1-amino-2-methylpropan-2-yl) acetate
CID 20827160
bis(3-methylpent-1-en-3-yl) carbonate
CID 174555873
2,2,4-trimethyl-4-(2-methylprop-2-enoyloxy)pentanoic acid
CID 88579591
(1-amino-2-methylpropan-2-yl) acetate;hydrochloride
CID 86587340
3,6-dimethylhept-1-en-3-yl acetate
CID 154263841
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
2-[(E)-2-acetyloxybutan-2-yldiazenyl]butan-2-yl acetate
CID 6436690

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;[(5E)-5-ethenyl-2,4,4-trimethylocta-5,7-dien-2-yl] acetate?
The IUPAC name of ethane;ethene;[(5E)-5-ethenyl-2,4,4-trimethylocta-5,7-dien-2-yl] acetate (CID 143775190) is ethane;ethene;[(5E)-5-ethenyl-2,4,4-trimethylocta-5,7-dien-2-yl] acetate.
What is the SMILES notation for ethane;ethene;[(5E)-5-ethenyl-2,4,4-trimethylocta-5,7-dien-2-yl] acetate?
The canonical SMILES for ethane;ethene;[(5E)-5-ethenyl-2,4,4-trimethylocta-5,7-dien-2-yl] acetate is C=C.C=C/C=C(\C=C)C(C)(C)CC(C)(C)OC(C)=O.CC.
What is the InChIKey of ethane;ethene;[(5E)-5-ethenyl-2,4,4-trimethylocta-5,7-dien-2-yl] acetate?
The InChIKey is UWUFOOCEVHTUGH-JFXLULTRSA-N. The full InChI is InChI=1S/C15H24O2.C2H6.C2H4/c1-8-10-13(9-2)14(4,5)11-15(6,7)17-12(3)16;2*1-2/h8-10H,1-2,11H2,3-7H3;1-2H3;1-2H2/b13-10+;;.
What are the key properties of ethane;ethene;[(5E)-5-ethenyl-2,4,4-trimethylocta-5,7-dien-2-yl] acetate?
ethane;ethene;[(5E)-5-ethenyl-2,4,4-trimethylocta-5,7-dien-2-yl] acetate has a molecular weight of 294.48 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;[(5E)-5-ethenyl-2,4,4-trimethylocta-5,7-dien-2-yl] acetate is sourced from PubChem (CID 143775190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).