(4Z,8E)-4-but-1-en-2-yl-8-fluoro-11,14,15,18-tetramethyl-6,7,10-trimethylidene-1-(2-methylprop-2-enoxy)nonadeca-4,8-diene

C34H55FO — CID 145122870

IUPAC(4Z,8E)-4-but-1-en-2-yl-8-fluoro-11,14,15,18-tetramethyl-6,7,10-trimethylidene-1-(2-methylprop-2-enoxy)nonadeca-4,8-diene
SMILESC=C(C)COCCC/C(=C/C(=C)C(=C)/C(F)=C/C(=C)C(C)CCC(C)C(C)CCC(C)C)C(=C)CC
InChIInChI=1S/C34H55FO/c1-13-26(6)33(15-14-20-36-23-25(4)5)21-31(11)32(12)34(35)22-30(10)29(9)19-18-28(8)27(7)17-16-24(2)3/h21-22,24,27-29H,4,6,10-20,23H2,1-3,5,7-9H3/b33-21-,34-22+
InChIKeyQDKFUCHHICCBIV-NRYMNODQSA-N
MW498.81 g/mol
LogP10.90
Rot. Bonds20

About (4Z,8E)-4-but-1-en-2-yl-8-fluoro-11,14,15,18-tetramethyl-6,7,10-trimethylidene-1-(2-methylprop-2-enoxy)nonadeca-4,8-diene

(4Z,8E)-4-but-1-en-2-yl-8-fluoro-11,14,15,18-tetramethyl-6,7,10-trimethylidene-1-(2-methylprop-2-enoxy)nonadeca-4,8-diene (PubChem CID 145122870) has the molecular formula C34H55FO and a molecular weight of 498.81 g/mol. Its IUPAC name is (4Z,8E)-4-but-1-en-2-yl-8-fluoro-11,14,15,18-tetramethyl-6,7,10-trimethylidene-1-(2-methylprop-2-enoxy)nonadeca-4,8-diene.

Molecular Properties

Compound Name(4Z,8E)-4-but-1-en-2-yl-8-fluoro-11,14,15,18-tetramethyl-6,7,10-trimethylidene-1-(2-methylprop-2-enoxy)nonadeca-4,8-diene
PubChem CID145122870
Molecular FormulaC34H55FO
Molecular Weight498.81 g/mol
Exact Mass498.42
IUPAC Name(4Z,8E)-4-but-1-en-2-yl-8-fluoro-11,14,15,18-tetramethyl-6,7,10-trimethylidene-1-(2-methylprop-2-enoxy)nonadeca-4,8-diene
SMILESC=C(C)COCCC/C(=C/C(=C)C(=C)/C(F)=C/C(=C)C(C)CCC(C)C(C)CCC(C)C)C(=C)CC
InChIInChI=1S/C34H55FO/c1-13-26(6)33(15-14-20-36-23-25(4)5)21-31(11)32(12)34(35)22-30(10)29(9)19-18-28(8)27(7)17-16-24(2)3/h21-22,24,27-29H,4,6,10-20,23H2,1-3,5,7-9H3/b33-21-,34-22+
InChIKeyQDKFUCHHICCBIV-NRYMNODQSA-N
XLogP10.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.81
LogP ≤ 510.90
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,8E)-4-but-1-en-2-yl-8-fluoro-11,14,15,18-tetramethyl-6,7,10-trimethylidene-1-(2-methylprop-2-enoxy)nonadeca-4,8-diene?
The IUPAC name of (4Z,8E)-4-but-1-en-2-yl-8-fluoro-11,14,15,18-tetramethyl-6,7,10-trimethylidene-1-(2-methylprop-2-enoxy)nonadeca-4,8-diene (CID 145122870) is (4Z,8E)-4-but-1-en-2-yl-8-fluoro-11,14,15,18-tetramethyl-6,7,10-trimethylidene-1-(2-methylprop-2-enoxy)nonadeca-4,8-diene.
What is the SMILES notation for (4Z,8E)-4-but-1-en-2-yl-8-fluoro-11,14,15,18-tetramethyl-6,7,10-trimethylidene-1-(2-methylprop-2-enoxy)nonadeca-4,8-diene?
The canonical SMILES for (4Z,8E)-4-but-1-en-2-yl-8-fluoro-11,14,15,18-tetramethyl-6,7,10-trimethylidene-1-(2-methylprop-2-enoxy)nonadeca-4,8-diene is C=C(C)COCCC/C(=C/C(=C)C(=C)/C(F)=C/C(=C)C(C)CCC(C)C(C)CCC(C)C)C(=C)CC.
What is the InChIKey of (4Z,8E)-4-but-1-en-2-yl-8-fluoro-11,14,15,18-tetramethyl-6,7,10-trimethylidene-1-(2-methylprop-2-enoxy)nonadeca-4,8-diene?
The InChIKey is QDKFUCHHICCBIV-NRYMNODQSA-N. The full InChI is InChI=1S/C34H55FO/c1-13-26(6)33(15-14-20-36-23-25(4)5)21-31(11)32(12)34(35)22-30(10)29(9)19-18-28(8)27(7)17-16-24(2)3/h21-22,24,27-29H,4,6,10-20,23H2,1-3,5,7-9H3/b33-21-,34-22+.
What are the key properties of (4Z,8E)-4-but-1-en-2-yl-8-fluoro-11,14,15,18-tetramethyl-6,7,10-trimethylidene-1-(2-methylprop-2-enoxy)nonadeca-4,8-diene?
(4Z,8E)-4-but-1-en-2-yl-8-fluoro-11,14,15,18-tetramethyl-6,7,10-trimethylidene-1-(2-methylprop-2-enoxy)nonadeca-4,8-diene has a molecular weight of 498.81 g/mol, XLogP of 10.90, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8E)-4-but-1-en-2-yl-8-fluoro-11,14,15,18-tetramethyl-6,7,10-trimethylidene-1-(2-methylprop-2-enoxy)nonadeca-4,8-diene is sourced from PubChem (CID 145122870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).