4-[2,2-bis(prop-2-enyl)pent-4-enoxymethyl]-4-prop-2-enylhepta-1,6-diene

C22H34O — CID 89253732

IUPAC4-[2,2-bis(prop-2-enyl)pent-4-enoxymethyl]-4-prop-2-enylhepta-1,6-diene
SMILESC=CCC(CC=C)(CC=C)COCC(CC=C)(CC=C)CC=C
InChIInChI=1S/C22H34O/c1-7-13-21(14-8-2,15-9-3)19-23-20-22(16-10-4,17-11-5)18-12-6/h7-12H,1-6,13-20H2
InChIKeyGTAFTLPQLUJUGE-UHFFFAOYSA-N
MW314.51 g/mol
LogP6.43
Rot. Bonds16

About 4-[2,2-bis(prop-2-enyl)pent-4-enoxymethyl]-4-prop-2-enylhepta-1,6-diene

4-[2,2-bis(prop-2-enyl)pent-4-enoxymethyl]-4-prop-2-enylhepta-1,6-diene (PubChem CID 89253732) has the molecular formula C22H34O and a molecular weight of 314.51 g/mol. Its IUPAC name is 4-[2,2-bis(prop-2-enyl)pent-4-enoxymethyl]-4-prop-2-enylhepta-1,6-diene.

Molecular Properties

Compound Name4-[2,2-bis(prop-2-enyl)pent-4-enoxymethyl]-4-prop-2-enylhepta-1,6-diene
PubChem CID89253732
Molecular FormulaC22H34O
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Name4-[2,2-bis(prop-2-enyl)pent-4-enoxymethyl]-4-prop-2-enylhepta-1,6-diene
SMILESC=CCC(CC=C)(CC=C)COCC(CC=C)(CC=C)CC=C
InChIInChI=1S/C22H34O/c1-7-13-21(14-8-2,15-9-3)19-23-20-22(16-10-4,17-11-5)18-12-6/h7-12H,1-6,13-20H2
InChIKeyGTAFTLPQLUJUGE-UHFFFAOYSA-N
XLogP6.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-bis(prop-2-enyl)pent-4-enoxymethyl]-4-prop-2-enylhepta-1,6-diene?
The IUPAC name of 4-[2,2-bis(prop-2-enyl)pent-4-enoxymethyl]-4-prop-2-enylhepta-1,6-diene (CID 89253732) is 4-[2,2-bis(prop-2-enyl)pent-4-enoxymethyl]-4-prop-2-enylhepta-1,6-diene.
What is the SMILES notation for 4-[2,2-bis(prop-2-enyl)pent-4-enoxymethyl]-4-prop-2-enylhepta-1,6-diene?
The canonical SMILES for 4-[2,2-bis(prop-2-enyl)pent-4-enoxymethyl]-4-prop-2-enylhepta-1,6-diene is C=CCC(CC=C)(CC=C)COCC(CC=C)(CC=C)CC=C.
What is the InChIKey of 4-[2,2-bis(prop-2-enyl)pent-4-enoxymethyl]-4-prop-2-enylhepta-1,6-diene?
The InChIKey is GTAFTLPQLUJUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O/c1-7-13-21(14-8-2,15-9-3)19-23-20-22(16-10-4,17-11-5)18-12-6/h7-12H,1-6,13-20H2.
What are the key properties of 4-[2,2-bis(prop-2-enyl)pent-4-enoxymethyl]-4-prop-2-enylhepta-1,6-diene?
4-[2,2-bis(prop-2-enyl)pent-4-enoxymethyl]-4-prop-2-enylhepta-1,6-diene has a molecular weight of 314.51 g/mol, XLogP of 6.43, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-bis(prop-2-enyl)pent-4-enoxymethyl]-4-prop-2-enylhepta-1,6-diene is sourced from PubChem (CID 89253732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).