(10Z)-2-(5-fluoropentoxy)nonadeca-1,10-diene

C24H45FO — CID 134404884

IUPAC(10Z)-2-(5-fluoropentoxy)nonadeca-1,10-diene
SMILESC=C(CCCCCCC/C=C\CCCCCCCC)OCCCCCF
InChIInChI=1S/C24H45FO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24(2)26-23-20-17-19-22-25/h10-11H,2-9,12-23H2,1H3/b11-10-
InChIKeyNSJANVCPQZYPHW-KHPPLWFESA-N
MW368.62 g/mol
LogP8.69
Rot. Bonds21

About (10Z)-2-(5-fluoropentoxy)nonadeca-1,10-diene

(10Z)-2-(5-fluoropentoxy)nonadeca-1,10-diene (PubChem CID 134404884) has the molecular formula C24H45FO and a molecular weight of 368.62 g/mol. Its IUPAC name is (10Z)-2-(5-fluoropentoxy)nonadeca-1,10-diene.

Molecular Properties

Compound Name(10Z)-2-(5-fluoropentoxy)nonadeca-1,10-diene
PubChem CID134404884
Molecular FormulaC24H45FO
Molecular Weight368.62 g/mol
Exact Mass368.35
IUPAC Name(10Z)-2-(5-fluoropentoxy)nonadeca-1,10-diene
SMILESC=C(CCCCCCC/C=C\CCCCCCCC)OCCCCCF
InChIInChI=1S/C24H45FO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24(2)26-23-20-17-19-22-25/h10-11H,2-9,12-23H2,1H3/b11-10-
InChIKeyNSJANVCPQZYPHW-KHPPLWFESA-N
XLogP8.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.62
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10Z)-2-(5-fluoropentoxy)nonadeca-1,10-diene?
The IUPAC name of (10Z)-2-(5-fluoropentoxy)nonadeca-1,10-diene (CID 134404884) is (10Z)-2-(5-fluoropentoxy)nonadeca-1,10-diene.
What is the SMILES notation for (10Z)-2-(5-fluoropentoxy)nonadeca-1,10-diene?
The canonical SMILES for (10Z)-2-(5-fluoropentoxy)nonadeca-1,10-diene is C=C(CCCCCCC/C=C\CCCCCCCC)OCCCCCF.
What is the InChIKey of (10Z)-2-(5-fluoropentoxy)nonadeca-1,10-diene?
The InChIKey is NSJANVCPQZYPHW-KHPPLWFESA-N. The full InChI is InChI=1S/C24H45FO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24(2)26-23-20-17-19-22-25/h10-11H,2-9,12-23H2,1H3/b11-10-.
What are the key properties of (10Z)-2-(5-fluoropentoxy)nonadeca-1,10-diene?
(10Z)-2-(5-fluoropentoxy)nonadeca-1,10-diene has a molecular weight of 368.62 g/mol, XLogP of 8.69, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-2-(5-fluoropentoxy)nonadeca-1,10-diene is sourced from PubChem (CID 134404884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).