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

C20H27F3O2 — CID 89301083

IUPAC(5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(3,3,3-trifluoropropoxy)pentoxy]propylidene]cyclohexa-1,3-diene
SMILESC=C/C=c1/cccc/c1=C/C(C)OCCCCCOCCC(F)(F)F
InChIInChI=1S/C20H27F3O2/c1-3-9-18-10-5-6-11-19(18)16-17(2)25-14-8-4-7-13-24-15-12-20(21,22)23/h3,5-6,9-11,16-17H,1,4,7-8,12-15H2,2H3/b18-9-,19-16-
InChIKeyIRTREDULYHDDRC-QQCAKMJESA-N
MW356.43 g/mol
LogP3.98
Rot. Bonds11

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

(5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(3,3,3-trifluoropropoxy)pentoxy]propylidene]cyclohexa-1,3-diene (PubChem CID 89301083) has the molecular formula C20H27F3O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(3,3,3-trifluoropropoxy)pentoxy]propylidene]cyclohexa-1,3-diene.

Molecular Properties

Compound Name(5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(3,3,3-trifluoropropoxy)pentoxy]propylidene]cyclohexa-1,3-diene
PubChem CID89301083
Molecular FormulaC20H27F3O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name(5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(3,3,3-trifluoropropoxy)pentoxy]propylidene]cyclohexa-1,3-diene
SMILESC=C/C=c1/cccc/c1=C/C(C)OCCCCCOCCC(F)(F)F
InChIInChI=1S/C20H27F3O2/c1-3-9-18-10-5-6-11-19(18)16-17(2)25-14-8-4-7-13-24-15-12-20(21,22)23/h3,5-6,9-11,16-17H,1,4,7-8,12-15H2,2H3/b18-9-,19-16-
InChIKeyIRTREDULYHDDRC-QQCAKMJESA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.98
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-(3,3,3-trifluoropropoxy)pentoxy]propylidene]cyclohexa-1,3-diene?
The IUPAC name of (5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(3,3,3-trifluoropropoxy)pentoxy]propylidene]cyclohexa-1,3-diene (CID 89301083) is (5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(3,3,3-trifluoropropoxy)pentoxy]propylidene]cyclohexa-1,3-diene.
What is the SMILES notation for (5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(3,3,3-trifluoropropoxy)pentoxy]propylidene]cyclohexa-1,3-diene?
The canonical SMILES for (5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(3,3,3-trifluoropropoxy)pentoxy]propylidene]cyclohexa-1,3-diene is C=C/C=c1/cccc/c1=C/C(C)OCCCCCOCCC(F)(F)F.
What is the InChIKey of (5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(3,3,3-trifluoropropoxy)pentoxy]propylidene]cyclohexa-1,3-diene?
The InChIKey is IRTREDULYHDDRC-QQCAKMJESA-N. The full InChI is InChI=1S/C20H27F3O2/c1-3-9-18-10-5-6-11-19(18)16-17(2)25-14-8-4-7-13-24-15-12-20(21,22)23/h3,5-6,9-11,16-17H,1,4,7-8,12-15H2,2H3/b18-9-,19-16-.
What are the key properties of (5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(3,3,3-trifluoropropoxy)pentoxy]propylidene]cyclohexa-1,3-diene?
(5Z,6Z)-5-prop-2-enylidene-6-[2-[5-(3,3,3-trifluoropropoxy)pentoxy]propylidene]cyclohexa-1,3-diene has a molecular weight of 356.43 g/mol, XLogP of 3.98, 11 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-(3,3,3-trifluoropropoxy)pentoxy]propylidene]cyclohexa-1,3-diene is sourced from PubChem (CID 89301083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).