4-[2-(3-prop-2-enylhex-5-enoxy)ethyl]hepta-1,6-diene

C18H30O — CID 57284381

IUPAC4-[2-(3-prop-2-enylhex-5-enoxy)ethyl]hepta-1,6-diene
SMILESC=CCC(CC=C)CCOCCC(CC=C)CC=C
InChIInChI=1S/C18H30O/c1-5-9-17(10-6-2)13-15-19-16-14-18(11-7-3)12-8-4/h5-8,17-18H,1-4,9-16H2
InChIKeyYXBSUQAUDOYOLY-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.32
Rot. Bonds14

About 4-[2-(3-prop-2-enylhex-5-enoxy)ethyl]hepta-1,6-diene

4-[2-(3-prop-2-enylhex-5-enoxy)ethyl]hepta-1,6-diene (PubChem CID 57284381) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-[2-(3-prop-2-enylhex-5-enoxy)ethyl]hepta-1,6-diene.

Molecular Properties

Compound Name4-[2-(3-prop-2-enylhex-5-enoxy)ethyl]hepta-1,6-diene
PubChem CID57284381
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name4-[2-(3-prop-2-enylhex-5-enoxy)ethyl]hepta-1,6-diene
SMILESC=CCC(CC=C)CCOCCC(CC=C)CC=C
InChIInChI=1S/C18H30O/c1-5-9-17(10-6-2)13-15-19-16-14-18(11-7-3)12-8-4/h5-8,17-18H,1-4,9-16H2
InChIKeyYXBSUQAUDOYOLY-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Ethenyloxane
CID 12411805
Vinylbutyl vinylbutyl ether
CID 57203039
Diallylethylether
CID 129722376
3-Prop-2-enyloxolane
CID 22481091
3-Ethenyl-6-(4-ethenylhex-5-enoxy)hex-1-ene
CID 57023807
3-Methyl-5-(3-methylpent-4-enoxy)pent-1-ene
CID 57176715
4-Methyl-5-(2-methylpent-4-enoxy)pent-1-ene
CID 57217751
4-Allyltetrahydro-2H-pyran
CID 58023197
4-(2-Ethylpent-4-enoxymethyl)hex-1-ene
CID 88202218
4-[2,2-Bis(prop-2-enyl)pent-4-enoxymethyl]-4-prop-2-enylhepta-1,6-diene
CID 89253732
1-Hex-5-enoxy-2-methylpentane
CID 89750157
4-[2-[2-(2-Methylbutoxy)ethoxy]ethoxymethyl]hex-1-ene
CID 90706279

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-prop-2-enylhex-5-enoxy)ethyl]hepta-1,6-diene?
The IUPAC name of 4-[2-(3-prop-2-enylhex-5-enoxy)ethyl]hepta-1,6-diene (CID 57284381) is 4-[2-(3-prop-2-enylhex-5-enoxy)ethyl]hepta-1,6-diene.
What is the SMILES notation for 4-[2-(3-prop-2-enylhex-5-enoxy)ethyl]hepta-1,6-diene?
The canonical SMILES for 4-[2-(3-prop-2-enylhex-5-enoxy)ethyl]hepta-1,6-diene is C=CCC(CC=C)CCOCCC(CC=C)CC=C.
What is the InChIKey of 4-[2-(3-prop-2-enylhex-5-enoxy)ethyl]hepta-1,6-diene?
The InChIKey is YXBSUQAUDOYOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-5-9-17(10-6-2)13-15-19-16-14-18(11-7-3)12-8-4/h5-8,17-18H,1-4,9-16H2.
What are the key properties of 4-[2-(3-prop-2-enylhex-5-enoxy)ethyl]hepta-1,6-diene?
4-[2-(3-prop-2-enylhex-5-enoxy)ethyl]hepta-1,6-diene has a molecular weight of 262.44 g/mol, XLogP of 5.32, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-prop-2-enylhex-5-enoxy)ethyl]hepta-1,6-diene is sourced from PubChem (CID 57284381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).