(3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene

C20H28F2O — CID 176948900

IUPAC(3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C(F)=C(\F)C(=C)OC
InChIInChI=1S/C20H28F2O/c1-13(2)9-10-14(3)15(4)11-12-16(5)17(6)19(21)20(22)18(7)23-8/h11-14H,4-7,9-10H2,1-3,8H3/b12-11-,20-19-
InChIKeyOUJGIPBGDLNTDX-KQERFQPYSA-N
MW322.44 g/mol
LogP6.59
Rot. Bonds10

About (3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene

(3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene (PubChem CID 176948900) has the molecular formula C20H28F2O and a molecular weight of 322.44 g/mol. Its IUPAC name is (3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene.

Molecular Properties

Compound Name(3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
PubChem CID176948900
Molecular FormulaC20H28F2O
Molecular Weight322.44 g/mol
Exact Mass322.21
IUPAC Name(3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C(F)=C(\F)C(=C)OC
InChIInChI=1S/C20H28F2O/c1-13(2)9-10-14(3)15(4)11-12-16(5)17(6)19(21)20(22)18(7)23-8/h11-14H,4-7,9-10H2,1-3,8H3/b12-11-,20-19-
InChIKeyOUJGIPBGDLNTDX-KQERFQPYSA-N
XLogP6.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.44
LogP ≤ 56.59
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'}

Analyze (3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene with MolForge

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Related Compounds

(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 144676252
(3Z,7Z,11E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11-tetraene
CID 143773158
(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 145122369
(7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18,21-dimethyl-6,9,10,13,14,17-hexamethylidenedocosa-1,7,11,15-tetraene
CID 143772648
(3Z,7Z)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 143727055
(3Z)-2,6,9-trimethyl-5-methylidenedeca-1,3-diene
CID 142315243
(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11,14-pentaene
CID 143772553
ethene;(4E,7Z,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-4,7,15,17-tetraen-2-ol
CID 143909089
(3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene
CID 144754217
(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
CID 143875384
(7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol
CID 143909116
(4E,8Z)-5-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;2-methylprop-2-enal
CID 145122813

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
The IUPAC name of (3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene (CID 176948900) is (3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene.
What is the SMILES notation for (3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
The canonical SMILES for (3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene is C=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C(F)=C(\F)C(=C)OC.
What is the InChIKey of (3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
The InChIKey is OUJGIPBGDLNTDX-KQERFQPYSA-N. The full InChI is InChI=1S/C20H28F2O/c1-13(2)9-10-14(3)15(4)11-12-16(5)17(6)19(21)20(22)18(7)23-8/h11-14H,4-7,9-10H2,1-3,8H3/b12-11-,20-19-.
What are the key properties of (3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
(3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene has a molecular weight of 322.44 g/mol, XLogP of 6.59, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene is sourced from PubChem (CID 176948900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).