(3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine

C33H52FN — CID 167265238

IUPAC(3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine
SMILESC=CC/C=C(C(=C)C)\C(=C/C(C)CC(=C)C(CC)(CCC)C/C(C)=C\CCCF)C(\C)=N\CC=C
InChIInChI=1S/C33H52FN/c1-11-15-19-31(26(5)6)32(30(10)35-22-13-3)24-28(8)23-29(9)33(14-4,20-12-2)25-27(7)18-16-17-21-34/h11,13,18-19,24,28H,1,3,5,9,12,14-17,20-23,25H2,2,4,6-8,10H3/b27-18-,31-19-,32-24-,35-30+
InChIKeyGOHVOPGSGCVUSB-KFHORHQNSA-N
MW481.78 g/mol
LogP10.50
Rot. Bonds19

About (3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine

(3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine (PubChem CID 167265238) has the molecular formula C33H52FN and a molecular weight of 481.78 g/mol. Its IUPAC name is (3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine.

Molecular Properties

Compound Name(3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine
PubChem CID167265238
Molecular FormulaC33H52FN
Molecular Weight481.78 g/mol
Exact Mass481.41
IUPAC Name(3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine
SMILESC=CC/C=C(C(=C)C)\C(=C/C(C)CC(=C)C(CC)(CCC)C/C(C)=C\CCCF)C(\C)=N\CC=C
InChIInChI=1S/C33H52FN/c1-11-15-19-31(26(5)6)32(30(10)35-22-13-3)24-28(8)23-29(9)33(14-4,20-12-2)25-27(7)18-16-17-21-34/h11,13,18-19,24,28H,1,3,5,9,12,14-17,20-23,25H2,2,4,6-8,10H3/b27-18-,31-19-,32-24-,35-30+
InChIKeyGOHVOPGSGCVUSB-KFHORHQNSA-N
XLogP10.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.78
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine?
The IUPAC name of (3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine (CID 167265238) is (3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine.
What is the SMILES notation for (3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine?
The canonical SMILES for (3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine is C=CC/C=C(C(=C)C)\C(=C/C(C)CC(=C)C(CC)(CCC)C/C(C)=C\CCCF)C(\C)=N\CC=C.
What is the InChIKey of (3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine?
The InChIKey is GOHVOPGSGCVUSB-KFHORHQNSA-N. The full InChI is InChI=1S/C33H52FN/c1-11-15-19-31(26(5)6)32(30(10)35-22-13-3)24-28(8)23-29(9)33(14-4,20-12-2)25-27(7)18-16-17-21-34/h11,13,18-19,24,28H,1,3,5,9,12,14-17,20-23,25H2,2,4,6-8,10H3/b27-18-,31-19-,32-24-,35-30+.
What are the key properties of (3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine?
(3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine has a molecular weight of 481.78 g/mol, XLogP of 10.50, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine is sourced from PubChem (CID 167265238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).