(5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(trifluoromethoxy)pentoxy]propylidene]cyclohexa-1,3-diene

C18H23F3O2 — CID 89300743

IUPAC(5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(trifluoromethoxy)pentoxy]propylidene]cyclohexa-1,3-diene
SMILESC=C/C=c1/cccc/c1=C/C(C)OCCCCCOC(F)(F)F
InChIInChI=1S/C18H23F3O2/c1-3-9-16-10-5-6-11-17(16)14-15(2)22-12-7-4-8-13-23-18(19,20)21/h3,5-6,9-11,14-15H,1,4,7-8,12-13H2,2H3/b16-9-,17-14-
InChIKeyHLTJQPHPRQBACQ-YNEQSQDESA-N
MW328.37 g/mol
LogP3.55
Rot. Bonds9

About (5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(trifluoromethoxy)pentoxy]propylidene]cyclohexa-1,3-diene

(5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(trifluoromethoxy)pentoxy]propylidene]cyclohexa-1,3-diene (PubChem CID 89300743) has the molecular formula C18H23F3O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is (5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(trifluoromethoxy)pentoxy]propylidene]cyclohexa-1,3-diene.

Molecular Properties

Compound Name(5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(trifluoromethoxy)pentoxy]propylidene]cyclohexa-1,3-diene
PubChem CID89300743
Molecular FormulaC18H23F3O2
Molecular Weight328.37 g/mol
Exact Mass328.17
IUPAC Name(5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(trifluoromethoxy)pentoxy]propylidene]cyclohexa-1,3-diene
SMILESC=C/C=c1/cccc/c1=C/C(C)OCCCCCOC(F)(F)F
InChIInChI=1S/C18H23F3O2/c1-3-9-16-10-5-6-11-17(16)14-15(2)22-12-7-4-8-13-23-18(19,20)21/h3,5-6,9-11,14-15H,1,4,7-8,12-13H2,2H3/b16-9-,17-14-
InChIKeyHLTJQPHPRQBACQ-YNEQSQDESA-N
XLogP3.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(trifluoromethoxy)pentoxy]propylidene]cyclohexa-1,3-diene?
The IUPAC name of (5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(trifluoromethoxy)pentoxy]propylidene]cyclohexa-1,3-diene (CID 89300743) is (5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(trifluoromethoxy)pentoxy]propylidene]cyclohexa-1,3-diene.
What is the SMILES notation for (5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(trifluoromethoxy)pentoxy]propylidene]cyclohexa-1,3-diene?
The canonical SMILES for (5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(trifluoromethoxy)pentoxy]propylidene]cyclohexa-1,3-diene is C=C/C=c1/cccc/c1=C/C(C)OCCCCCOC(F)(F)F.
What is the InChIKey of (5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(trifluoromethoxy)pentoxy]propylidene]cyclohexa-1,3-diene?
The InChIKey is HLTJQPHPRQBACQ-YNEQSQDESA-N. The full InChI is InChI=1S/C18H23F3O2/c1-3-9-16-10-5-6-11-17(16)14-15(2)22-12-7-4-8-13-23-18(19,20)21/h3,5-6,9-11,14-15H,1,4,7-8,12-13H2,2H3/b16-9-,17-14-.
What are the key properties of (5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(trifluoromethoxy)pentoxy]propylidene]cyclohexa-1,3-diene?
(5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(trifluoromethoxy)pentoxy]propylidene]cyclohexa-1,3-diene has a molecular weight of 328.37 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(trifluoromethoxy)pentoxy]propylidene]cyclohexa-1,3-diene is sourced from PubChem (CID 89300743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).