5-ethoxy-4,4-bis(prop-2-enyl)octa-1,7-diene

C16H26O — CID 56639398

IUPAC5-ethoxy-4,4-bis(prop-2-enyl)octa-1,7-diene
SMILESC=CCC(OCC)C(CC=C)(CC=C)CC=C
InChIInChI=1S/C16H26O/c1-6-11-15(17-10-5)16(12-7-2,13-8-3)14-9-4/h6-9,15H,1-4,10-14H2,5H3
InChIKeyXFOWCOBZMKIGRA-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.68
Rot. Bonds11

About 5-ethoxy-4,4-bis(prop-2-enyl)octa-1,7-diene

5-ethoxy-4,4-bis(prop-2-enyl)octa-1,7-diene (PubChem CID 56639398) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 5-ethoxy-4,4-bis(prop-2-enyl)octa-1,7-diene.

Molecular Properties

Compound Name5-ethoxy-4,4-bis(prop-2-enyl)octa-1,7-diene
PubChem CID56639398
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name5-ethoxy-4,4-bis(prop-2-enyl)octa-1,7-diene
SMILESC=CCC(OCC)C(CC=C)(CC=C)CC=C
InChIInChI=1S/C16H26O/c1-6-11-15(17-10-5)16(12-7-2,13-8-3)14-9-4/h6-9,15H,1-4,10-14H2,5H3
InChIKeyXFOWCOBZMKIGRA-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,5R)-3-ethenyl-2,3-dimethyl-5-prop-2-enyloxolane
CID 135037566
1-Heptene, 5-methoxy-4-methyl-
CID 551990
2,5-Diethoxy-3-methyl-3-vinylhexane
CID 101607925
5-Butoxy-5-ethylhept-1-ene
CID 17824917
4-Ethoxy-4,5-bis(prop-2-enyl)octa-1,7-diene
CID 20553350
2-Methyl-4-(2-methylhepta-1,6-dien-4-yloxy)hepta-1,6-diene
CID 21545124
3-(4,4-Dimethylhex-1-en-3-yloxy)-4,4-dimethylhex-1-ene
CID 22151661
5-Methoxy-4,4,6-trimethylhept-1-ene
CID 23385172
4-(5,5-Dimethylhept-1-en-4-ylperoxy)-5,5-dimethylhept-1-ene
CID 53715152
1-(1-Methoxybut-3-enyl)-1-methylcyclobutane
CID 54131849
(3R)-2,3-diethyl-3-methyl-2H-furan
CID 58226903
2,3-diethyl-3-methyl-2H-furan
CID 58226941

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4,4-bis(prop-2-enyl)octa-1,7-diene?
The IUPAC name of 5-ethoxy-4,4-bis(prop-2-enyl)octa-1,7-diene (CID 56639398) is 5-ethoxy-4,4-bis(prop-2-enyl)octa-1,7-diene.
What is the SMILES notation for 5-ethoxy-4,4-bis(prop-2-enyl)octa-1,7-diene?
The canonical SMILES for 5-ethoxy-4,4-bis(prop-2-enyl)octa-1,7-diene is C=CCC(OCC)C(CC=C)(CC=C)CC=C.
What is the InChIKey of 5-ethoxy-4,4-bis(prop-2-enyl)octa-1,7-diene?
The InChIKey is XFOWCOBZMKIGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-6-11-15(17-10-5)16(12-7-2,13-8-3)14-9-4/h6-9,15H,1-4,10-14H2,5H3.
What are the key properties of 5-ethoxy-4,4-bis(prop-2-enyl)octa-1,7-diene?
5-ethoxy-4,4-bis(prop-2-enyl)octa-1,7-diene has a molecular weight of 234.38 g/mol, XLogP of 4.68, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4,4-bis(prop-2-enyl)octa-1,7-diene is sourced from PubChem (CID 56639398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).