(1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane

C32H34F4O — CID 143772372

IUPAC(1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane
SMILESC=CCOC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(=C)/C=C1/CCC(C)CC1=C
InChIInChI=1S/C32H34F4O/c1-11-16-37-27(10)32(36)31(35)25(8)21(4)14-13-20(3)24(7)29(33)30(34)26(9)22(5)18-28-15-12-19(2)17-23(28)6/h11,13-14,18-19H,1,3-10,12,15-17H2,2H3/b14-13-,28-18-,30-29-,32-31-
InChIKeyYRNKENLEQGVFGK-GJENQGBQSA-N
MW510.62 g/mol
LogP10.20
Rot. Bonds13

About (1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane

(1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane (PubChem CID 143772372) has the molecular formula C32H34F4O and a molecular weight of 510.62 g/mol. Its IUPAC name is (1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane.

Molecular Properties

Compound Name(1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane
PubChem CID143772372
Molecular FormulaC32H34F4O
Molecular Weight510.62 g/mol
Exact Mass510.25
IUPAC Name(1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane
SMILESC=CCOC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(=C)/C=C1/CCC(C)CC1=C
InChIInChI=1S/C32H34F4O/c1-11-16-37-27(10)32(36)31(35)25(8)21(4)14-13-20(3)24(7)29(33)30(34)26(9)22(5)18-28-15-12-19(2)17-23(28)6/h11,13-14,18-19H,1,3-10,12,15-17H2,2H3/b14-13-,28-18-,30-29-,32-31-
InChIKeyYRNKENLEQGVFGK-GJENQGBQSA-N
XLogP10.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.62
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane?
The IUPAC name of (1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane (CID 143772372) is (1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane.
What is the SMILES notation for (1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane?
The canonical SMILES for (1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane is C=CCOC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(=C)/C=C1/CCC(C)CC1=C.
What is the InChIKey of (1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane?
The InChIKey is YRNKENLEQGVFGK-GJENQGBQSA-N. The full InChI is InChI=1S/C32H34F4O/c1-11-16-37-27(10)32(36)31(35)25(8)21(4)14-13-20(3)24(7)29(33)30(34)26(9)22(5)18-28-15-12-19(2)17-23(28)6/h11,13-14,18-19H,1,3-10,12,15-17H2,2H3/b14-13-,28-18-,30-29-,32-31-.
What are the key properties of (1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane?
(1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane has a molecular weight of 510.62 g/mol, XLogP of 10.20, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane is sourced from PubChem (CID 143772372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).