(7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18,21-dimethyl-6,9,10,13,14,17-hexamethylidenedocosa-1,7,11,15-tetraene

C30H38F4 — CID 143772648

IUPAC(7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18,21-dimethyl-6,9,10,13,14,17-hexamethylidenedocosa-1,7,11,15-tetraene
SMILESC=CCCCC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)CCC(C)C
InChIInChI=1S/C30H38F4/c1-11-12-13-14-23(7)27(31)28(32)24(8)21(5)17-18-22(6)26(10)30(34)29(33)25(9)20(4)16-15-19(2)3/h11,17-20H,1,5-10,12-16H2,2-4H3/b18-17-,28-27-,30-29-
InChIKeyBELORKWHYVZWBV-RDQLTGBFSA-N
MW474.63 g/mol
LogP10.61
Rot. Bonds16

About (7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18,21-dimethyl-6,9,10,13,14,17-hexamethylidenedocosa-1,7,11,15-tetraene

(7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18,21-dimethyl-6,9,10,13,14,17-hexamethylidenedocosa-1,7,11,15-tetraene (PubChem CID 143772648) has the molecular formula C30H38F4 and a molecular weight of 474.63 g/mol. Its IUPAC name is (7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18,21-dimethyl-6,9,10,13,14,17-hexamethylidenedocosa-1,7,11,15-tetraene.

Molecular Properties

Compound Name(7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18,21-dimethyl-6,9,10,13,14,17-hexamethylidenedocosa-1,7,11,15-tetraene
PubChem CID143772648
Molecular FormulaC30H38F4
Molecular Weight474.63 g/mol
Exact Mass474.29
IUPAC Name(7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18,21-dimethyl-6,9,10,13,14,17-hexamethylidenedocosa-1,7,11,15-tetraene
SMILESC=CCCCC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)CCC(C)C
InChIInChI=1S/C30H38F4/c1-11-12-13-14-23(7)27(31)28(32)24(8)21(5)17-18-22(6)26(10)30(34)29(33)25(9)20(4)16-15-19(2)3/h11,17-20H,1,5-10,12-16H2,2-4H3/b18-17-,28-27-,30-29-
InChIKeyBELORKWHYVZWBV-RDQLTGBFSA-N
XLogP10.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.63
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidenedocosa-2,7,11,15-tetraene
CID 143773258
(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
(3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 176948900
(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17,18-trimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxydocosa-1,3,7,11-tetraene
CID 143772829
(Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene
CID 143777022
(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-pent-4-enoxydocosa-1,3,7,11,14-pentaene
CID 143772796
(4Z,8Z,12Z,16Z)-4,5,12,13-tetrafluoro-2-methyl-3,6,7,10,11,14-hexamethylidene-1-propan-2-yloxyicosa-4,8,12,16-tetraene
CID 143772617
(3Z,7Z,11E)-2-(but-3-enoxymethyl)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-15-propan-2-yloxypentadeca-1,3,7,11-tetraene
CID 143772897
5-methyl-6,7-dimethylidenenon-1-ene
CID 142109737
but-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
CID 143875080
N-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine
CID 145373050
25-methylhexacos-1-ene
CID 141407501

Frequently Asked Questions

What is the IUPAC name of (7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18,21-dimethyl-6,9,10,13,14,17-hexamethylidenedocosa-1,7,11,15-tetraene?
The IUPAC name of (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) is (7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18,21-dimethyl-6,9,10,13,14,17-hexamethylidenedocosa-1,7,11,15-tetraene.
What is the SMILES notation for (7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18,21-dimethyl-6,9,10,13,14,17-hexamethylidenedocosa-1,7,11,15-tetraene?
The canonical SMILES for (7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18,21-dimethyl-6,9,10,13,14,17-hexamethylidenedocosa-1,7,11,15-tetraene is C=CCCCC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)CCC(C)C.
What is the InChIKey of (7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18,21-dimethyl-6,9,10,13,14,17-hexamethylidenedocosa-1,7,11,15-tetraene?
The InChIKey is BELORKWHYVZWBV-RDQLTGBFSA-N. The full InChI is InChI=1S/C30H38F4/c1-11-12-13-14-23(7)27(31)28(32)24(8)21(5)17-18-22(6)26(10)30(34)29(33)25(9)20(4)16-15-19(2)3/h11,17-20H,1,5-10,12-16H2,2-4H3/b18-17-,28-27-,30-29-.
What are the key properties of (7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18,21-dimethyl-6,9,10,13,14,17-hexamethylidenedocosa-1,7,11,15-tetraene?
(7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18,21-dimethyl-6,9,10,13,14,17-hexamethylidenedocosa-1,7,11,15-tetraene has a molecular weight of 474.63 g/mol, XLogP of 10.61, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18,21-dimethyl-6,9,10,13,14,17-hexamethylidenedocosa-1,7,11,15-tetraene is sourced from PubChem (CID 143772648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).