(Z,6E,7E)-2,2-difluoro-7-(methoxymethylidene)-6-prop-2-enylidene-8-propylundec-4-ene

C19H30F2O — CID 143495768

IUPAC(Z,6E,7E)-2,2-difluoro-7-(methoxymethylidene)-6-prop-2-enylidene-8-propylundec-4-ene
SMILESC=C/C=C(\C=C/CC(C)(F)F)C(=C/OC)/C(CCC)CCC
InChIInChI=1S/C19H30F2O/c1-6-10-16(11-7-2)18(15-22-5)17(12-8-3)13-9-14-19(4,20)21/h8-9,12-13,15-16H,3,6-7,10-11,14H2,1-2,4-5H3/b13-9-,17-12+,18-15+
InChIKeyPRRMOXLRQDQTAN-MSPHYWGXSA-N
MW312.44 g/mol
LogP6.45
Rot. Bonds11

About (Z,6E,7E)-2,2-difluoro-7-(methoxymethylidene)-6-prop-2-enylidene-8-propylundec-4-ene

(Z,6E,7E)-2,2-difluoro-7-(methoxymethylidene)-6-prop-2-enylidene-8-propylundec-4-ene (PubChem CID 143495768) has the molecular formula C19H30F2O and a molecular weight of 312.44 g/mol. Its IUPAC name is (Z,6E,7E)-2,2-difluoro-7-(methoxymethylidene)-6-prop-2-enylidene-8-propylundec-4-ene.

Molecular Properties

Compound Name(Z,6E,7E)-2,2-difluoro-7-(methoxymethylidene)-6-prop-2-enylidene-8-propylundec-4-ene
PubChem CID143495768
Molecular FormulaC19H30F2O
Molecular Weight312.44 g/mol
Exact Mass312.23
IUPAC Name(Z,6E,7E)-2,2-difluoro-7-(methoxymethylidene)-6-prop-2-enylidene-8-propylundec-4-ene
SMILESC=C/C=C(\C=C/CC(C)(F)F)C(=C/OC)/C(CCC)CCC
InChIInChI=1S/C19H30F2O/c1-6-10-16(11-7-2)18(15-22-5)17(12-8-3)13-9-14-19(4,20)21/h8-9,12-13,15-16H,3,6-7,10-11,14H2,1-2,4-5H3/b13-9-,17-12+,18-15+
InChIKeyPRRMOXLRQDQTAN-MSPHYWGXSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.44
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,6E,7E)-2,2-difluoro-7-(methoxymethylidene)-6-prop-2-enylidene-8-propylundec-4-ene?
The IUPAC name of (Z,6E,7E)-2,2-difluoro-7-(methoxymethylidene)-6-prop-2-enylidene-8-propylundec-4-ene (CID 143495768) is (Z,6E,7E)-2,2-difluoro-7-(methoxymethylidene)-6-prop-2-enylidene-8-propylundec-4-ene.
What is the SMILES notation for (Z,6E,7E)-2,2-difluoro-7-(methoxymethylidene)-6-prop-2-enylidene-8-propylundec-4-ene?
The canonical SMILES for (Z,6E,7E)-2,2-difluoro-7-(methoxymethylidene)-6-prop-2-enylidene-8-propylundec-4-ene is C=C/C=C(\C=C/CC(C)(F)F)C(=C/OC)/C(CCC)CCC.
What is the InChIKey of (Z,6E,7E)-2,2-difluoro-7-(methoxymethylidene)-6-prop-2-enylidene-8-propylundec-4-ene?
The InChIKey is PRRMOXLRQDQTAN-MSPHYWGXSA-N. The full InChI is InChI=1S/C19H30F2O/c1-6-10-16(11-7-2)18(15-22-5)17(12-8-3)13-9-14-19(4,20)21/h8-9,12-13,15-16H,3,6-7,10-11,14H2,1-2,4-5H3/b13-9-,17-12+,18-15+.
What are the key properties of (Z,6E,7E)-2,2-difluoro-7-(methoxymethylidene)-6-prop-2-enylidene-8-propylundec-4-ene?
(Z,6E,7E)-2,2-difluoro-7-(methoxymethylidene)-6-prop-2-enylidene-8-propylundec-4-ene has a molecular weight of 312.44 g/mol, XLogP of 6.45, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6E,7E)-2,2-difluoro-7-(methoxymethylidene)-6-prop-2-enylidene-8-propylundec-4-ene is sourced from PubChem (CID 143495768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).